data_51610 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51610 _Entry.Title ; EcFTSZ_TEDOR_DNP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-31 _Entry.Accession_date 2022-08-31 _Entry.Last_release_date 2022-08-31 _Entry.Original_release_date 2022-08-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Time domain data for E. coli FtsZ ZF-TEDOR data sets covering multiple samples' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kelsey McCoy . M. . 0000-0001-5389-6304 51610 2 Keith Fritzsching . J. . . 51610 3 Ann McDermott . E. . . 51610 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-07 2022-08-31 update BMRB 'update entry citation' 51610 1 . . 2022-09-21 2022-08-31 original author 'original release' 51610 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51610 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36214571 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; GTP-Bound Escherichia coli FtsZ Filaments Are Composed of Tense Monomers: a Dynamic Nuclear Polarization-Nuclear Magnetic Resonance Study Using Interface Detection ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev mBio _Citation.Journal_name_full mBio _Citation.Journal_volume 13 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2150-7511 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e0235822 _Citation.Page_last e0235822 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kelsey McCoy . M. . . 51610 1 2 Keith Fritzsching . J. . . 51610 1 3 Ann McDermott . E. . . 51610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51610 _Assembly.ID 1 _Assembly.Name 'FtsZ filament' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FtsZ filament' 1 $entity_1 . . yes native no no . . . 51610 1 2 GTP 2 $entity_GTP . . no native no no . . . 51610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFEPMELTNDAVIKVIGVGG GGGNAVEHMVRERIEGVEFF AVNTDAQALRKTAVGQTIQI GSGITKGLGAGANPEVGRNA ADEDRDALRAALEGADMVFI AAGMGGGTGTGAAPVVAEVA KDLGILTVAVVTKPFNFEGK KRMAFAEQGITELSKHVDSL ITIPNDKLLKVLGRGISLLD AFGAANDVLKGAVQGIAELI TRPGLMNVDFADVRTVMSEM GYAMMGSGVASGEDRAEEAA EMAISSPLLEDIDLSGARGV LVNITAGFDLRLDEFETVGN TIRAFASDNATVVIGTSLDP DMNDELRVTVVATGIGMDKR PEITLVTNKQVQQPVMDRYQ QHGMAPLTQEQKPVAKVVND NAPQTAKEPDYLDIPAFLRK QAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 383 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51610 1 2 . PHE . 51610 1 3 . GLU . 51610 1 4 . PRO . 51610 1 5 . MET . 51610 1 6 . GLU . 51610 1 7 . LEU . 51610 1 8 . THR . 51610 1 9 . ASN . 51610 1 10 . ASP . 51610 1 11 . ALA . 51610 1 12 . VAL . 51610 1 13 . ILE . 51610 1 14 . LYS . 51610 1 15 . VAL . 51610 1 16 . ILE . 51610 1 17 . GLY . 51610 1 18 . VAL . 51610 1 19 . GLY . 51610 1 20 . GLY . 51610 1 21 . GLY . 51610 1 22 . GLY . 51610 1 23 . GLY . 51610 1 24 . ASN . 51610 1 25 . ALA . 51610 1 26 . VAL . 51610 1 27 . GLU . 51610 1 28 . HIS . 51610 1 29 . MET . 51610 1 30 . VAL . 51610 1 31 . ARG . 51610 1 32 . GLU . 51610 1 33 . ARG . 51610 1 34 . ILE . 51610 1 35 . GLU . 51610 1 36 . GLY . 51610 1 37 . VAL . 51610 1 38 . GLU . 51610 1 39 . PHE . 51610 1 40 . PHE . 51610 1 41 . ALA . 51610 1 42 . VAL . 51610 1 43 . ASN . 51610 1 44 . THR . 51610 1 45 . ASP . 51610 1 46 . ALA . 51610 1 47 . GLN . 51610 1 48 . ALA . 51610 1 49 . LEU . 51610 1 50 . ARG . 51610 1 51 . LYS . 51610 1 52 . THR . 51610 1 53 . ALA . 51610 1 54 . VAL . 51610 1 55 . GLY . 51610 1 56 . GLN . 51610 1 57 . THR . 51610 1 58 . ILE . 51610 1 59 . GLN . 51610 1 60 . ILE . 51610 1 61 . GLY . 51610 1 62 . SER . 51610 1 63 . GLY . 51610 1 64 . ILE . 51610 1 65 . THR . 51610 1 66 . LYS . 51610 1 67 . GLY . 51610 1 68 . LEU . 51610 1 69 . GLY . 51610 1 70 . ALA . 51610 1 71 . GLY . 51610 1 72 . ALA . 51610 1 73 . ASN . 51610 1 74 . PRO . 51610 1 75 . GLU . 51610 1 76 . VAL . 51610 1 77 . GLY . 51610 1 78 . ARG . 51610 1 79 . ASN . 51610 1 80 . ALA . 51610 1 81 . ALA . 51610 1 82 . ASP . 51610 1 83 . GLU . 51610 1 84 . ASP . 51610 1 85 . ARG . 51610 1 86 . ASP . 51610 1 87 . ALA . 51610 1 88 . LEU . 51610 1 89 . ARG . 51610 1 90 . ALA . 51610 1 91 . ALA . 51610 1 92 . LEU . 51610 1 93 . GLU . 51610 1 94 . GLY . 51610 1 95 . ALA . 51610 1 96 . ASP . 51610 1 97 . MET . 51610 1 98 . VAL . 51610 1 99 . PHE . 51610 1 100 . ILE . 51610 1 101 . ALA . 51610 1 102 . ALA . 51610 1 103 . GLY . 51610 1 104 . MET . 51610 1 105 . GLY . 51610 1 106 . GLY . 51610 1 107 . GLY . 51610 1 108 . THR . 51610 1 109 . GLY . 51610 1 110 . THR . 51610 1 111 . GLY . 51610 1 112 . ALA . 51610 1 113 . ALA . 51610 1 114 . PRO . 51610 1 115 . VAL . 51610 1 116 . VAL . 51610 1 117 . ALA . 51610 1 118 . GLU . 51610 1 119 . VAL . 51610 1 120 . ALA . 51610 1 121 . LYS . 51610 1 122 . ASP . 51610 1 123 . LEU . 51610 1 124 . GLY . 51610 1 125 . ILE . 51610 1 126 . LEU . 51610 1 127 . THR . 51610 1 128 . VAL . 51610 1 129 . ALA . 51610 1 130 . VAL . 51610 1 131 . VAL . 51610 1 132 . THR . 51610 1 133 . LYS . 51610 1 134 . PRO . 51610 1 135 . PHE . 51610 1 136 . ASN . 51610 1 137 . PHE . 51610 1 138 . GLU . 51610 1 139 . GLY . 51610 1 140 . LYS . 51610 1 141 . LYS . 51610 1 142 . ARG . 51610 1 143 . MET . 51610 1 144 . ALA . 51610 1 145 . PHE . 51610 1 146 . ALA . 51610 1 147 . GLU . 51610 1 148 . GLN . 51610 1 149 . GLY . 51610 1 150 . ILE . 51610 1 151 . THR . 51610 1 152 . GLU . 51610 1 153 . LEU . 51610 1 154 . SER . 51610 1 155 . LYS . 51610 1 156 . HIS . 51610 1 157 . VAL . 51610 1 158 . ASP . 51610 1 159 . SER . 51610 1 160 . LEU . 51610 1 161 . ILE . 51610 1 162 . THR . 51610 1 163 . ILE . 51610 1 164 . PRO . 51610 1 165 . ASN . 51610 1 166 . ASP . 51610 1 167 . LYS . 51610 1 168 . LEU . 51610 1 169 . LEU . 51610 1 170 . LYS . 51610 1 171 . VAL . 51610 1 172 . LEU . 51610 1 173 . GLY . 51610 1 174 . ARG . 51610 1 175 . GLY . 51610 1 176 . ILE . 51610 1 177 . SER . 51610 1 178 . LEU . 51610 1 179 . LEU . 51610 1 180 . ASP . 51610 1 181 . ALA . 51610 1 182 . PHE . 51610 1 183 . GLY . 51610 1 184 . ALA . 51610 1 185 . ALA . 51610 1 186 . ASN . 51610 1 187 . ASP . 51610 1 188 . VAL . 51610 1 189 . LEU . 51610 1 190 . LYS . 51610 1 191 . GLY . 51610 1 192 . ALA . 51610 1 193 . VAL . 51610 1 194 . GLN . 51610 1 195 . GLY . 51610 1 196 . ILE . 51610 1 197 . ALA . 51610 1 198 . GLU . 51610 1 199 . LEU . 51610 1 200 . ILE . 51610 1 201 . THR . 51610 1 202 . ARG . 51610 1 203 . PRO . 51610 1 204 . GLY . 51610 1 205 . LEU . 51610 1 206 . MET . 51610 1 207 . ASN . 51610 1 208 . VAL . 51610 1 209 . ASP . 51610 1 210 . PHE . 51610 1 211 . ALA . 51610 1 212 . ASP . 51610 1 213 . VAL . 51610 1 214 . ARG . 51610 1 215 . THR . 51610 1 216 . VAL . 51610 1 217 . MET . 51610 1 218 . SER . 51610 1 219 . GLU . 51610 1 220 . MET . 51610 1 221 . GLY . 51610 1 222 . TYR . 51610 1 223 . ALA . 51610 1 224 . MET . 51610 1 225 . MET . 51610 1 226 . GLY . 51610 1 227 . SER . 51610 1 228 . GLY . 51610 1 229 . VAL . 51610 1 230 . ALA . 51610 1 231 . SER . 51610 1 232 . GLY . 51610 1 233 . GLU . 51610 1 234 . ASP . 51610 1 235 . ARG . 51610 1 236 . ALA . 51610 1 237 . GLU . 51610 1 238 . GLU . 51610 1 239 . ALA . 51610 1 240 . ALA . 51610 1 241 . GLU . 51610 1 242 . MET . 51610 1 243 . ALA . 51610 1 244 . ILE . 51610 1 245 . SER . 51610 1 246 . SER . 51610 1 247 . PRO . 51610 1 248 . LEU . 51610 1 249 . LEU . 51610 1 250 . GLU . 51610 1 251 . ASP . 51610 1 252 . ILE . 51610 1 253 . ASP . 51610 1 254 . LEU . 51610 1 255 . SER . 51610 1 256 . GLY . 51610 1 257 . ALA . 51610 1 258 . ARG . 51610 1 259 . GLY . 51610 1 260 . VAL . 51610 1 261 . LEU . 51610 1 262 . VAL . 51610 1 263 . ASN . 51610 1 264 . ILE . 51610 1 265 . THR . 51610 1 266 . ALA . 51610 1 267 . GLY . 51610 1 268 . PHE . 51610 1 269 . ASP . 51610 1 270 . LEU . 51610 1 271 . ARG . 51610 1 272 . LEU . 51610 1 273 . ASP . 51610 1 274 . GLU . 51610 1 275 . PHE . 51610 1 276 . GLU . 51610 1 277 . THR . 51610 1 278 . VAL . 51610 1 279 . GLY . 51610 1 280 . ASN . 51610 1 281 . THR . 51610 1 282 . ILE . 51610 1 283 . ARG . 51610 1 284 . ALA . 51610 1 285 . PHE . 51610 1 286 . ALA . 51610 1 287 . SER . 51610 1 288 . ASP . 51610 1 289 . ASN . 51610 1 290 . ALA . 51610 1 291 . THR . 51610 1 292 . VAL . 51610 1 293 . VAL . 51610 1 294 . ILE . 51610 1 295 . GLY . 51610 1 296 . THR . 51610 1 297 . SER . 51610 1 298 . LEU . 51610 1 299 . ASP . 51610 1 300 . PRO . 51610 1 301 . ASP . 51610 1 302 . MET . 51610 1 303 . ASN . 51610 1 304 . ASP . 51610 1 305 . GLU . 51610 1 306 . LEU . 51610 1 307 . ARG . 51610 1 308 . VAL . 51610 1 309 . THR . 51610 1 310 . VAL . 51610 1 311 . VAL . 51610 1 312 . ALA . 51610 1 313 . THR . 51610 1 314 . GLY . 51610 1 315 . ILE . 51610 1 316 . GLY . 51610 1 317 . MET . 51610 1 318 . ASP . 51610 1 319 . LYS . 51610 1 320 . ARG . 51610 1 321 . PRO . 51610 1 322 . GLU . 51610 1 323 . ILE . 51610 1 324 . THR . 51610 1 325 . LEU . 51610 1 326 . VAL . 51610 1 327 . THR . 51610 1 328 . ASN . 51610 1 329 . LYS . 51610 1 330 . GLN . 51610 1 331 . VAL . 51610 1 332 . GLN . 51610 1 333 . GLN . 51610 1 334 . PRO . 51610 1 335 . VAL . 51610 1 336 . MET . 51610 1 337 . ASP . 51610 1 338 . ARG . 51610 1 339 . TYR . 51610 1 340 . GLN . 51610 1 341 . GLN . 51610 1 342 . HIS . 51610 1 343 . GLY . 51610 1 344 . MET . 51610 1 345 . ALA . 51610 1 346 . PRO . 51610 1 347 . LEU . 51610 1 348 . THR . 51610 1 349 . GLN . 51610 1 350 . GLU . 51610 1 351 . GLN . 51610 1 352 . LYS . 51610 1 353 . PRO . 51610 1 354 . VAL . 51610 1 355 . ALA . 51610 1 356 . LYS . 51610 1 357 . VAL . 51610 1 358 . VAL . 51610 1 359 . ASN . 51610 1 360 . ASP . 51610 1 361 . ASN . 51610 1 362 . ALA . 51610 1 363 . PRO . 51610 1 364 . GLN . 51610 1 365 . THR . 51610 1 366 . ALA . 51610 1 367 . LYS . 51610 1 368 . GLU . 51610 1 369 . PRO . 51610 1 370 . ASP . 51610 1 371 . TYR . 51610 1 372 . LEU . 51610 1 373 . ASP . 51610 1 374 . ILE . 51610 1 375 . PRO . 51610 1 376 . ALA . 51610 1 377 . PHE . 51610 1 378 . LEU . 51610 1 379 . ARG . 51610 1 380 . LYS . 51610 1 381 . GLN . 51610 1 382 . ALA . 51610 1 383 . ASP . 51610 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51610 1 . PHE 2 2 51610 1 . GLU 3 3 51610 1 . PRO 4 4 51610 1 . MET 5 5 51610 1 . GLU 6 6 51610 1 . LEU 7 7 51610 1 . THR 8 8 51610 1 . ASN 9 9 51610 1 . ASP 10 10 51610 1 . ALA 11 11 51610 1 . VAL 12 12 51610 1 . ILE 13 13 51610 1 . LYS 14 14 51610 1 . VAL 15 15 51610 1 . ILE 16 16 51610 1 . GLY 17 17 51610 1 . VAL 18 18 51610 1 . GLY 19 19 51610 1 . GLY 20 20 51610 1 . GLY 21 21 51610 1 . GLY 22 22 51610 1 . GLY 23 23 51610 1 . ASN 24 24 51610 1 . ALA 25 25 51610 1 . VAL 26 26 51610 1 . GLU 27 27 51610 1 . HIS 28 28 51610 1 . MET 29 29 51610 1 . VAL 30 30 51610 1 . ARG 31 31 51610 1 . GLU 32 32 51610 1 . ARG 33 33 51610 1 . ILE 34 34 51610 1 . GLU 35 35 51610 1 . GLY 36 36 51610 1 . VAL 37 37 51610 1 . GLU 38 38 51610 1 . PHE 39 39 51610 1 . PHE 40 40 51610 1 . ALA 41 41 51610 1 . VAL 42 42 51610 1 . ASN 43 43 51610 1 . THR 44 44 51610 1 . ASP 45 45 51610 1 . ALA 46 46 51610 1 . GLN 47 47 51610 1 . ALA 48 48 51610 1 . LEU 49 49 51610 1 . ARG 50 50 51610 1 . LYS 51 51 51610 1 . THR 52 52 51610 1 . ALA 53 53 51610 1 . VAL 54 54 51610 1 . GLY 55 55 51610 1 . GLN 56 56 51610 1 . THR 57 57 51610 1 . ILE 58 58 51610 1 . GLN 59 59 51610 1 . ILE 60 60 51610 1 . GLY 61 61 51610 1 . SER 62 62 51610 1 . GLY 63 63 51610 1 . ILE 64 64 51610 1 . THR 65 65 51610 1 . LYS 66 66 51610 1 . GLY 67 67 51610 1 . LEU 68 68 51610 1 . GLY 69 69 51610 1 . ALA 70 70 51610 1 . GLY 71 71 51610 1 . ALA 72 72 51610 1 . ASN 73 73 51610 1 . PRO 74 74 51610 1 . GLU 75 75 51610 1 . VAL 76 76 51610 1 . GLY 77 77 51610 1 . ARG 78 78 51610 1 . ASN 79 79 51610 1 . ALA 80 80 51610 1 . ALA 81 81 51610 1 . ASP 82 82 51610 1 . GLU 83 83 51610 1 . ASP 84 84 51610 1 . ARG 85 85 51610 1 . ASP 86 86 51610 1 . ALA 87 87 51610 1 . LEU 88 88 51610 1 . ARG 89 89 51610 1 . ALA 90 90 51610 1 . ALA 91 91 51610 1 . LEU 92 92 51610 1 . GLU 93 93 51610 1 . GLY 94 94 51610 1 . ALA 95 95 51610 1 . ASP 96 96 51610 1 . MET 97 97 51610 1 . VAL 98 98 51610 1 . PHE 99 99 51610 1 . ILE 100 100 51610 1 . ALA 101 101 51610 1 . ALA 102 102 51610 1 . GLY 103 103 51610 1 . MET 104 104 51610 1 . GLY 105 105 51610 1 . GLY 106 106 51610 1 . GLY 107 107 51610 1 . THR 108 108 51610 1 . GLY 109 109 51610 1 . THR 110 110 51610 1 . GLY 111 111 51610 1 . ALA 112 112 51610 1 . ALA 113 113 51610 1 . PRO 114 114 51610 1 . VAL 115 115 51610 1 . VAL 116 116 51610 1 . ALA 117 117 51610 1 . GLU 118 118 51610 1 . VAL 119 119 51610 1 . ALA 120 120 51610 1 . LYS 121 121 51610 1 . ASP 122 122 51610 1 . LEU 123 123 51610 1 . GLY 124 124 51610 1 . ILE 125 125 51610 1 . LEU 126 126 51610 1 . THR 127 127 51610 1 . VAL 128 128 51610 1 . ALA 129 129 51610 1 . VAL 130 130 51610 1 . VAL 131 131 51610 1 . THR 132 132 51610 1 . LYS 133 133 51610 1 . PRO 134 134 51610 1 . PHE 135 135 51610 1 . ASN 136 136 51610 1 . PHE 137 137 51610 1 . GLU 138 138 51610 1 . GLY 139 139 51610 1 . LYS 140 140 51610 1 . LYS 141 141 51610 1 . ARG 142 142 51610 1 . MET 143 143 51610 1 . ALA 144 144 51610 1 . PHE 145 145 51610 1 . ALA 146 146 51610 1 . GLU 147 147 51610 1 . GLN 148 148 51610 1 . GLY 149 149 51610 1 . ILE 150 150 51610 1 . THR 151 151 51610 1 . GLU 152 152 51610 1 . LEU 153 153 51610 1 . SER 154 154 51610 1 . LYS 155 155 51610 1 . HIS 156 156 51610 1 . VAL 157 157 51610 1 . ASP 158 158 51610 1 . SER 159 159 51610 1 . LEU 160 160 51610 1 . ILE 161 161 51610 1 . THR 162 162 51610 1 . ILE 163 163 51610 1 . PRO 164 164 51610 1 . ASN 165 165 51610 1 . ASP 166 166 51610 1 . LYS 167 167 51610 1 . LEU 168 168 51610 1 . LEU 169 169 51610 1 . LYS 170 170 51610 1 . VAL 171 171 51610 1 . LEU 172 172 51610 1 . GLY 173 173 51610 1 . ARG 174 174 51610 1 . GLY 175 175 51610 1 . ILE 176 176 51610 1 . SER 177 177 51610 1 . LEU 178 178 51610 1 . LEU 179 179 51610 1 . ASP 180 180 51610 1 . ALA 181 181 51610 1 . PHE 182 182 51610 1 . GLY 183 183 51610 1 . ALA 184 184 51610 1 . ALA 185 185 51610 1 . ASN 186 186 51610 1 . ASP 187 187 51610 1 . VAL 188 188 51610 1 . LEU 189 189 51610 1 . LYS 190 190 51610 1 . GLY 191 191 51610 1 . ALA 192 192 51610 1 . VAL 193 193 51610 1 . GLN 194 194 51610 1 . GLY 195 195 51610 1 . ILE 196 196 51610 1 . ALA 197 197 51610 1 . GLU 198 198 51610 1 . LEU 199 199 51610 1 . ILE 200 200 51610 1 . THR 201 201 51610 1 . ARG 202 202 51610 1 . PRO 203 203 51610 1 . GLY 204 204 51610 1 . LEU 205 205 51610 1 . MET 206 206 51610 1 . ASN 207 207 51610 1 . VAL 208 208 51610 1 . ASP 209 209 51610 1 . PHE 210 210 51610 1 . ALA 211 211 51610 1 . ASP 212 212 51610 1 . VAL 213 213 51610 1 . ARG 214 214 51610 1 . THR 215 215 51610 1 . VAL 216 216 51610 1 . MET 217 217 51610 1 . SER 218 218 51610 1 . GLU 219 219 51610 1 . MET 220 220 51610 1 . GLY 221 221 51610 1 . TYR 222 222 51610 1 . ALA 223 223 51610 1 . MET 224 224 51610 1 . MET 225 225 51610 1 . GLY 226 226 51610 1 . SER 227 227 51610 1 . GLY 228 228 51610 1 . VAL 229 229 51610 1 . ALA 230 230 51610 1 . SER 231 231 51610 1 . GLY 232 232 51610 1 . GLU 233 233 51610 1 . ASP 234 234 51610 1 . ARG 235 235 51610 1 . ALA 236 236 51610 1 . GLU 237 237 51610 1 . GLU 238 238 51610 1 . ALA 239 239 51610 1 . ALA 240 240 51610 1 . GLU 241 241 51610 1 . MET 242 242 51610 1 . ALA 243 243 51610 1 . ILE 244 244 51610 1 . SER 245 245 51610 1 . SER 246 246 51610 1 . PRO 247 247 51610 1 . LEU 248 248 51610 1 . LEU 249 249 51610 1 . GLU 250 250 51610 1 . ASP 251 251 51610 1 . ILE 252 252 51610 1 . ASP 253 253 51610 1 . LEU 254 254 51610 1 . SER 255 255 51610 1 . GLY 256 256 51610 1 . ALA 257 257 51610 1 . ARG 258 258 51610 1 . GLY 259 259 51610 1 . VAL 260 260 51610 1 . LEU 261 261 51610 1 . VAL 262 262 51610 1 . ASN 263 263 51610 1 . ILE 264 264 51610 1 . THR 265 265 51610 1 . ALA 266 266 51610 1 . GLY 267 267 51610 1 . PHE 268 268 51610 1 . ASP 269 269 51610 1 . LEU 270 270 51610 1 . ARG 271 271 51610 1 . LEU 272 272 51610 1 . ASP 273 273 51610 1 . GLU 274 274 51610 1 . PHE 275 275 51610 1 . GLU 276 276 51610 1 . THR 277 277 51610 1 . VAL 278 278 51610 1 . GLY 279 279 51610 1 . ASN 280 280 51610 1 . THR 281 281 51610 1 . ILE 282 282 51610 1 . ARG 283 283 51610 1 . ALA 284 284 51610 1 . PHE 285 285 51610 1 . ALA 286 286 51610 1 . SER 287 287 51610 1 . ASP 288 288 51610 1 . ASN 289 289 51610 1 . ALA 290 290 51610 1 . THR 291 291 51610 1 . VAL 292 292 51610 1 . VAL 293 293 51610 1 . ILE 294 294 51610 1 . GLY 295 295 51610 1 . THR 296 296 51610 1 . SER 297 297 51610 1 . LEU 298 298 51610 1 . ASP 299 299 51610 1 . PRO 300 300 51610 1 . ASP 301 301 51610 1 . MET 302 302 51610 1 . ASN 303 303 51610 1 . ASP 304 304 51610 1 . GLU 305 305 51610 1 . LEU 306 306 51610 1 . ARG 307 307 51610 1 . VAL 308 308 51610 1 . THR 309 309 51610 1 . VAL 310 310 51610 1 . VAL 311 311 51610 1 . ALA 312 312 51610 1 . THR 313 313 51610 1 . GLY 314 314 51610 1 . ILE 315 315 51610 1 . GLY 316 316 51610 1 . MET 317 317 51610 1 . ASP 318 318 51610 1 . LYS 319 319 51610 1 . ARG 320 320 51610 1 . PRO 321 321 51610 1 . GLU 322 322 51610 1 . ILE 323 323 51610 1 . THR 324 324 51610 1 . LEU 325 325 51610 1 . VAL 326 326 51610 1 . THR 327 327 51610 1 . ASN 328 328 51610 1 . LYS 329 329 51610 1 . GLN 330 330 51610 1 . VAL 331 331 51610 1 . GLN 332 332 51610 1 . GLN 333 333 51610 1 . PRO 334 334 51610 1 . VAL 335 335 51610 1 . MET 336 336 51610 1 . ASP 337 337 51610 1 . ARG 338 338 51610 1 . TYR 339 339 51610 1 . GLN 340 340 51610 1 . GLN 341 341 51610 1 . HIS 342 342 51610 1 . GLY 343 343 51610 1 . MET 344 344 51610 1 . ALA 345 345 51610 1 . PRO 346 346 51610 1 . LEU 347 347 51610 1 . THR 348 348 51610 1 . GLN 349 349 51610 1 . GLU 350 350 51610 1 . GLN 351 351 51610 1 . LYS 352 352 51610 1 . PRO 353 353 51610 1 . VAL 354 354 51610 1 . ALA 355 355 51610 1 . LYS 356 356 51610 1 . VAL 357 357 51610 1 . VAL 358 358 51610 1 . ASN 359 359 51610 1 . ASP 360 360 51610 1 . ASN 361 361 51610 1 . ALA 362 362 51610 1 . PRO 363 363 51610 1 . GLN 364 364 51610 1 . THR 365 365 51610 1 . ALA 366 366 51610 1 . LYS 367 367 51610 1 . GLU 368 368 51610 1 . PRO 369 369 51610 1 . ASP 370 370 51610 1 . TYR 371 371 51610 1 . LEU 372 372 51610 1 . ASP 373 373 51610 1 . ILE 374 374 51610 1 . PRO 375 375 51610 1 . ALA 376 376 51610 1 . PHE 377 377 51610 1 . LEU 378 378 51610 1 . ARG 379 379 51610 1 . LYS 380 380 51610 1 . GLN 381 381 51610 1 . ALA 382 382 51610 1 . ASP 383 383 51610 1 stop_ save_ save_entity_GTP _Entity.Sf_category entity _Entity.Sf_framecode entity_GTP _Entity.Entry_ID 51610 _Entity.ID 2 _Entity.BMRB_code GTP _Entity.Name entity_GTP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GTP _Entity.Nonpolymer_comp_label $chem_comp_GTP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 523.180 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-TRIPHOSPHATE BMRB 51610 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-TRIPHOSPHATE BMRB 51610 2 GTP 'Three letter code' 51610 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GTP $chem_comp_GTP 51610 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51610 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . ftsz . 51610 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51610 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pet11 . . . 51610 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GTP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GTP _Chem_comp.Entry_ID 51610 _Chem_comp.ID GTP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-TRIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GTP _Chem_comp.PDB_code GTP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GTP _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N5 O14 P3' _Chem_comp.Formula_weight 523.180 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QRA _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 51610 GTP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.370 51610 GTP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.370 51610 GTP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 51610 GTP XKMLYUALXHKNFT-UUOKFMHZSA-N InChIKey InChI 1.03 51610 GTP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 51610 GTP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 51610 GTP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 51610 GTP "guanosine 5'-(tetrahydrogen triphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 51610 GTP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG PG PG PG . P . . N 0 . . . 1 N N . . . . 4.566 . 31.391 . 21.635 . -6.030 -2.367 0.637 1 . 51610 GTP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 4.613 . 31.907 . 23.069 . -7.326 -1.996 0.026 2 . 51610 GTP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 3.892 . 32.319 . 20.631 . -6.285 -2.982 2.103 3 . 51610 GTP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 4.143 . 30.012 . 21.613 . -5.296 -3.463 -0.286 4 . 51610 GTP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 6.160 . 31.360 . 21.228 . -5.101 -1.058 0.758 5 . 51610 GTP PB PB PB PB . P . . N 0 . . . 1 N N . . . . 6.877 . 31.202 . 19.745 . -4.818 0.206 -0.199 6 . 51610 GTP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 7.079 . 29.709 . 19.473 . -4.732 -0.250 -1.605 7 . 51610 GTP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 6.125 . 31.970 . 18.749 . -6.017 1.269 -0.052 8 . 51610 GTP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 8.251 . 31.890 . 20.003 . -3.429 0.900 0.226 9 . 51610 GTP PA PA PA PA . P . . N 0 . . . 1 N N . . . . 8.846 . 33.261 . 19.411 . -2.449 1.965 -0.479 10 . 51610 GTP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 8.888 . 33.256 . 17.957 . -2.350 1.662 -1.925 11 . 51610 GTP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 8.105 . 34.398 . 20.129 . -3.040 3.450 -0.282 12 . 51610 GTP O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 10.430 . 33.153 . 19.900 . -0.988 1.876 0.190 13 . 51610 GTP C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 10.549 . 33.044 . 21.378 . 0.134 2.622 -0.287 14 . 51610 GTP C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 12.046 . 33.618 . 21.474 . 1.360 2.304 0.570 15 . 51610 GTP O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 13.052 . 32.830 . 20.818 . 1.749 0.933 0.378 16 . 51610 GTP C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 12.307 . 34.969 . 21.057 . 2.548 3.182 0.132 17 . 51610 GTP O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 13.109 . 35.672 . 21.971 . 2.994 3.997 1.218 18 . 51610 GTP C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 12.839 . 34.971 . 19.593 . 3.645 2.166 -0.269 19 . 51610 GTP O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 13.672 . 35.961 . 19.355 . 4.929 2.593 0.190 20 . 51610 GTP C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 13.846 . 33.622 . 19.927 . 3.188 0.886 0.476 21 . 51610 GTP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 14.001 . 32.833 . 18.649 . 3.711 -0.311 -0.188 22 . 51610 GTP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 12.934 . 32.452 . 17.848 . 3.094 -1.021 -1.176 23 . 51610 GTP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 13.640 . 31.798 . 16.899 . 3.843 -2.023 -1.533 24 . 51610 GTP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 15.029 . 31.889 . 17.001 . 4.981 -2.017 -0.798 25 . 51610 GTP C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 15.899 . 31.394 . 16.238 . 6.129 -2.842 -0.753 26 . 51610 GTP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 15.982 . 30.680 . 15.191 . 6.235 -3.807 -1.491 27 . 51610 GTP N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . 17.274 . 31.628 . 16.800 . 7.106 -2.535 0.129 28 . 51610 GTP C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 17.304 . 32.295 . 17.896 . 6.978 -1.454 0.950 29 . 51610 GTP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 18.677 . 32.450 . 18.475 . 7.986 -1.165 1.835 30 . 51610 GTP N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . 16.384 . 32.736 . 18.739 . 5.916 -0.679 0.917 31 . 51610 GTP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 15.218 . 32.517 . 18.135 . 4.911 -0.918 0.066 32 . 51610 GTP HOG2 HOG2 HOG2 HOG2 . H . . N 0 . . . 0 N N . . . . 3.595 . 33.105 . 21.075 . -6.838 -3.775 2.106 33 . 51610 GTP HOG3 HOG3 HOG3 HOG3 . H . . N 0 . . . 0 N N . . . . 3.982 . 29.715 . 22.501 . -4.439 -3.753 0.055 34 . 51610 GTP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 N N . . . . 5.858 . 31.396 . 18.041 . -6.132 1.611 0.846 35 . 51610 GTP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 N N . . . . 7.743 . 34.996 . 19.486 . -3.133 3.717 0.643 36 . 51610 GTP H5' H5' H5' H5'1 . H . . N 0 . . . 1 N N . . . . 9.819 . 33.672 . 21.910 . 0.335 2.352 -1.324 37 . 51610 GTP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 N N . . . . 10.469 . 32.007 . 21.735 . -0.086 3.688 -0.226 38 . 51610 GTP H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 12.283 . 33.581 . 22.548 . 1.133 2.480 1.621 39 . 51610 GTP H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 11.335 . 35.482 . 21.016 . 2.270 3.803 -0.720 40 . 51610 GTP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 N Y . . . . 13.253 . 36.555 . 21.653 . 3.741 4.571 0.998 41 . 51610 GTP H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 12.075 . 34.730 . 18.840 . 3.652 2.007 -1.347 42 . 51610 GTP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 N N . . . . 13.966 . 35.918 . 18.453 . 5.218 3.438 -0.180 43 . 51610 GTP H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 14.805 . 33.958 . 20.347 . 3.503 0.916 1.519 44 . 51610 GTP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 11.873 . 32.624 . 17.951 . 2.128 -0.786 -1.599 45 . 51610 GTP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 18.102 . 31.290 . 16.354 . 7.903 -3.086 0.179 46 . 51610 GTP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 N N . . . . 18.794 . 32.845 . 19.386 . 8.776 -1.728 1.870 47 . 51610 GTP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 N N . . . . 19.477 . 32.159 . 17.950 . 7.909 -0.399 2.425 48 . 51610 GTP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G N N 1 . 51610 GTP 2 . SING PG O2G N N 2 . 51610 GTP 3 . SING PG O3G N N 3 . 51610 GTP 4 . SING PG O3B N N 4 . 51610 GTP 5 . SING O2G HOG2 N N 5 . 51610 GTP 6 . SING O3G HOG3 N N 6 . 51610 GTP 7 . SING O3B PB N N 7 . 51610 GTP 8 . DOUB PB O1B N N 8 . 51610 GTP 9 . SING PB O2B N N 9 . 51610 GTP 10 . SING PB O3A N N 10 . 51610 GTP 11 . SING O2B HOB2 N N 11 . 51610 GTP 12 . SING O3A PA N N 12 . 51610 GTP 13 . DOUB PA O1A N N 13 . 51610 GTP 14 . SING PA O2A N N 14 . 51610 GTP 15 . SING PA O5' N N 15 . 51610 GTP 16 . SING O2A HOA2 N N 16 . 51610 GTP 17 . SING O5' C5' N N 17 . 51610 GTP 18 . SING C5' C4' N N 18 . 51610 GTP 19 . SING C5' H5' N N 19 . 51610 GTP 20 . SING C5' H5'' N N 20 . 51610 GTP 21 . SING C4' O4' N N 21 . 51610 GTP 22 . SING C4' C3' N N 22 . 51610 GTP 23 . SING C4' H4' N N 23 . 51610 GTP 24 . SING O4' C1' N N 24 . 51610 GTP 25 . SING C3' O3' N N 25 . 51610 GTP 26 . SING C3' C2' N N 26 . 51610 GTP 27 . SING C3' H3' N N 27 . 51610 GTP 28 . SING O3' HO3' N N 28 . 51610 GTP 29 . SING C2' O2' N N 29 . 51610 GTP 30 . SING C2' C1' N N 30 . 51610 GTP 31 . SING C2' H2' N N 31 . 51610 GTP 32 . SING O2' HO2' N N 32 . 51610 GTP 33 . SING C1' N9 N N 33 . 51610 GTP 34 . SING C1' H1' N N 34 . 51610 GTP 35 . SING N9 C8 Y N 35 . 51610 GTP 36 . SING N9 C4 Y N 36 . 51610 GTP 37 . DOUB C8 N7 Y N 37 . 51610 GTP 38 . SING C8 H8 N N 38 . 51610 GTP 39 . SING N7 C5 Y N 39 . 51610 GTP 40 . SING C5 C6 N N 40 . 51610 GTP 41 . DOUB C5 C4 Y N 41 . 51610 GTP 42 . DOUB C6 O6 N N 42 . 51610 GTP 43 . SING C6 N1 N N 43 . 51610 GTP 44 . SING N1 C2 N N 44 . 51610 GTP 45 . SING N1 HN1 N N 45 . 51610 GTP 46 . SING C2 N2 N N 46 . 51610 GTP 47 . DOUB C2 N3 N N 47 . 51610 GTP 48 . SING N2 HN21 N N 48 . 51610 GTP 49 . SING N2 HN22 N N 49 . 51610 GTP 50 . SING N3 C4 N N 50 . 51610 GTP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51610 _Sample.ID 1 _Sample.Name 2-glycerol _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '2-13C-glyercol FtsZ + U-15N, 12C FtsZ polymerized together with GTP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50% H2O/50% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EcFtsZ 2-[13C]-glycerol . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 1 2 EcFtsZ '[U-15N, 12C]' . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 1 3 GTP 'natural abundance' . . 2 $entity_GTP . . 5 . . mM . . . . 51610 1 4 KCl 'natural abundance' . . . . . . 25 . . mM . . . . 51610 1 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51610 1 6 MES 'natural abundance' . . . . . . 50 . . mM . . . . 51610 1 7 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 51610 1 8 glycerol [U-12C] . . . . . . 30 . . % . . . . 51610 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51610 _Sample.ID 2 _Sample.Name 1,3-glycerol _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '[1,3]-13C-glyercol FtsZ + U-15N, 12C FtsZ polymerized together with GTP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50% H2O/50% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EcFtsZ 1,3-[13C]-glycerol . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 2 2 EcFtsZ '[U-15N, 12C]' . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 2 3 GTP 'natural abundance' . . 2 $entity_GTP . . 5 . . mM . . . . 51610 2 4 KCl 'natural abundance' . . . . . . 25 . . mM . . . . 51610 2 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51610 2 6 MES 'natural abundance' . . . . . . 50 . . mM . . . . 51610 2 7 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 51610 2 8 glycerol [U-12C] . . . . . . 30 . . % . . . . 51610 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51610 _Sample.ID 3 _Sample.Name '1,3-glycerol natural abundance' _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '[1,3]-13C-glyercol FtsZ + U-15N FtsZ polymerized together with GTP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50% H2O/50% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EcFtsZ 1,3-[13C]-glycerol . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 3 2 EcFtsZ [U-15N] . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 3 3 GTP 'natural abundance' . . 2 $entity_GTP . . 5 . . mM . . . . 51610 3 4 KCl 'natural abundance' . . . . . . 25 . . mM . . . . 51610 3 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51610 3 6 MES 'natural abundance' . . . . . . 50 . . mM . . . . 51610 3 7 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 51610 3 8 glycerol [U-12C] . . . . . . 30 . . % . . . . 51610 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 51610 _Sample.ID 4 _Sample.Name AG _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details '[13Cb]-Ala, [13Ca]-Gly FtsZ + U-15N FtsZ polymerized together with GTP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50% H2O/50% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EcFtsZ '[13Ca]-GLY, [13Cb]-ALA' . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 4 2 EcFtsZ '[U-15N, 12C]' . . 1 $entity_1 . . 2.5 . . mg . . . . 51610 4 3 GTP 'natural abundance' . . 2 $entity_GTP . . 5 . . mM . . . . 51610 4 4 KCl 'natural abundance' . . . . . . 25 . . mM . . . . 51610 4 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51610 4 6 MES 'natural abundance' . . . . . . 50 . . mM . . . . 51610 4 7 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 51610 4 8 glycerol [U-12C] . . . . . . 30 . . % . . . . 51610 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 51610 _Sample.ID 5 _Sample.Name '15N control' _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details 'U-15N FtsZ polymerized together with GTP' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50% H2O/50% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EcFtsZ [U-15N] . . 1 $entity_1 . . 5 . . mg . . . . 51610 5 2 GTP 'natural abundance' . . 2 $entity_GTP . . 5 . . mM . . . . 51610 5 3 KCl 'natural abundance' . . . . . . 25 . . mM . . . . 51610 5 4 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51610 5 5 MES 'natural abundance' . . . . . . 50 . . mM . . . . 51610 5 6 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 51610 5 7 glycerol [U-12C] . . . . . . 30 . . % . . . . 51610 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51610 _Sample_condition_list.ID 1 _Sample_condition_list.Name DNP _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 51610 1 pH 6.5 0.1 pH 51610 1 pressure 1 . atm 51610 1 temperature 115 2.5 K 51610 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51610 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51610 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 DNP' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51610 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '13C CP' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 2 '1D ZF-TEDOR' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 3 '13C CP' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 4 '1D ZF-TEDOR' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 5 '13C CP' yes no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 6 '1D ZF-TEDOR' yes no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 7 '13C CP' yes no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 8 '1D ZF-TEDOR' yes no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 9 '13C CP' yes no no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 10 '1D ZF-TEDOR' yes no no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51610 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '13C CP' 2gly_cp_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_10ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_12ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_14ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_16ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_18ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_2ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_4ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_6ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 2 '1D ZF-TEDOR' 2gly_8ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 3 '13C CP' 13gly_cp_fid . 'Time-domain (raw spectral data)' . . 51610 1 4 '1D ZF-TEDOR' 13gly_12ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 4 '1D ZF-TEDOR' 13gly_16ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 4 '1D ZF-TEDOR' 13gly_24ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 4 '1D ZF-TEDOR' 13gly_2ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 4 '1D ZF-TEDOR' 13gly_8ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 5 '13C CP' 13gly_na_cp_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_12ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_16ms_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_1ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_2ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_4ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_6ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 6 '1D ZF-TEDOR' 13gly_na_8ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 7 '13C CP' AG_cp_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_10ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_12ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_14ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_16ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_18ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_24ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_2ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_4ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_6ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 8 '1D ZF-TEDOR' AG_8ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 9 '13C CP' 15N_cp_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_12ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_16ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_1ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_2ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_4ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_6ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 10 '1D ZF-TEDOR' 15N_8ms_TEDOR_fid . 'Time-domain (raw spectral data)' . . 51610 1 stop_ save_