data_50673 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50673 _Entry.Title ; 5_UTR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-20 _Entry.Accession_date 2020-12-20 _Entry.Last_release_date 2021-06-28 _Entry.Original_release_date 2021-06-28 _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 solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Harald Schwalbe . . . . 50673 2 Sridhar Sreeramulu . . . . 50673 3 Christian Richter . . . . 50673 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 'SARS-CoV-2 RNA screening study' 'Harald Schwalbe group; Goethe University Frankfurt' . 50673 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 1 . . 2022-02-01 . original BMRB . 50673 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50350 'Assigned chemical shifts of the RNA' 50673 NCBI NC_045512.2 'Severe acute respiratory syndrome coronavirus 2 isolate Wuhan-Hu-1, complete genome.' 50673 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50673 _Citation.ID 1 _Citation.Name 'citations 1' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34161644 _Citation.DOI 10.1002/anie.202103693 _Citation.Full_citation . _Citation.Title ; Exploring the druggability of conserved RNA regulatory elements in the SARS-CoV-2 genome ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 60 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _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 19191 _Citation.Page_last 19200 _Citation.Year 2021 _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 Sridhar Sreeramulu S. . . . 50673 1 2 Christian Richter C. . . . 50673 1 3 Hannes Berg H. . . . 50673 1 4 Maria 'Wirtz Martin' M. A. . . 50673 1 5 Betul Ceylan B. . . . 50673 1 6 Tobias Matzel T. . . . 50673 1 7 Jennifer Adam J. . . . 50673 1 8 Nadide Altincekic N. . . . 50673 1 9 Kamal Azzaoui K. . . . 50673 1 10 'Jasleen Kaur' Bains J. K. . . 50673 1 11 Marcel Blommers . . . . 50673 1 12 Jan Ferner J. . . . 50673 1 13 Boris Furtig B. . . . 50673 1 14 M. Gobel M. . . . 50673 1 15 'J Tassilo' Grun J. T. . . 50673 1 16 Martin Hengesbach M. . . . 50673 1 17 Katharina Hohmann K. F. . . 50673 1 18 Daniel Hymon D. . . . 50673 1 19 Bozana Knezic B. . . . 50673 1 20 Jason Martins J. . . . 50673 1 21 Klara Mertinkus K. R. . . 50673 1 22 Anna Niesteruk A. . . . 50673 1 23 Stephen Peter S. A. . . 50673 1 24 Dennis Pyper D. J. . . 50673 1 25 Nusrat Qureshi N. S. . . 50673 1 26 Ute Scheffer U. . . . 50673 1 27 Andreas Schlundt A. . . . 50673 1 28 Robbin Schnieders R. . . . 50673 1 29 Elke Stirnal E. . . . 50673 1 30 Alexey Sudakov A. . . . 50673 1 31 Alix Troster A. . . . 50673 1 32 Jennifer Vogele J. . . . 50673 1 33 Anna Wacker A. . . . 50673 1 34 Julia Weigand J. E. . . 50673 1 35 Julia Wirmer-Bartoschek J. . . . 50673 1 36 Jens Wohnert J. . . . 50673 1 37 Harald Schwalbe H. . . . 50673 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50673 _Assembly.ID 1 _Assembly.Name '5_UTR fragment screening' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 5_UTR 1 $entity_1 . . no native no no . . . 50673 1 2 'DSI-Poised Library (DSI-PL)' 2 $entity_2 . . yes native no yes . . . 50673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AUUAAAGGUUUAUACCUUCC CAGGUAACAAACCAACCAAC UUUCGAUCUCUUGUAGAUCU GUUCUCUAAACGAACUUUAA AAUCUGUGUGGCUGUCACUC GGCUGCAUGCUUAGUGCACU CACGCAGUAUAAUUAAUAAC UAAUUACUGUCGUUGACAGG ACACGAGUAACUCGUCUAUC UUCUGCAGGCUGCUUACGGU UUCGUCCGUGUUGCAGCCGA UCAUCAGCACAUCUAGGUUU CGUCCGGGUGUGACCGAAAG GUAAGAUGGAGAGCCUUGUC CCUGGUUUCAACGAGAAAAC ACACGUCCAACUCAGUUUGC CUGUUUUACAGGUUCGCGAC GUGCUCGUACGUGGCUUUGG AGACUCCGUGGAGGAGGUCU UAUCAGAGGCACGUCAACAU CUUAAAGAUGGCACUUGUGG CUUAGUAGAAGUUGAAAAAG GCGUUUUGCCUCAACUUGAA CAGCCCUAUGUG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 472 _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 . A . 50673 1 2 . U . 50673 1 3 . U . 50673 1 4 . A . 50673 1 5 . A . 50673 1 6 . A . 50673 1 7 . G . 50673 1 8 . G . 50673 1 9 . U . 50673 1 10 . U . 50673 1 11 . U . 50673 1 12 . A . 50673 1 13 . U . 50673 1 14 . A . 50673 1 15 . C . 50673 1 16 . C . 50673 1 17 . U . 50673 1 18 . U . 50673 1 19 . C . 50673 1 20 . C . 50673 1 21 . C . 50673 1 22 . A . 50673 1 23 . G . 50673 1 24 . G . 50673 1 25 . U . 50673 1 26 . A . 50673 1 27 . A . 50673 1 28 . C . 50673 1 29 . A . 50673 1 30 . A . 50673 1 31 . A . 50673 1 32 . C . 50673 1 33 . C . 50673 1 34 . A . 50673 1 35 . A . 50673 1 36 . C . 50673 1 37 . C . 50673 1 38 . A . 50673 1 39 . A . 50673 1 40 . C . 50673 1 41 . U . 50673 1 42 . U . 50673 1 43 . U . 50673 1 44 . C . 50673 1 45 . G . 50673 1 46 . A . 50673 1 47 . U . 50673 1 48 . C . 50673 1 49 . U . 50673 1 50 . C . 50673 1 51 . U . 50673 1 52 . U . 50673 1 53 . G . 50673 1 54 . U . 50673 1 55 . A . 50673 1 56 . G . 50673 1 57 . A . 50673 1 58 . U . 50673 1 59 . C . 50673 1 60 . U . 50673 1 61 . G . 50673 1 62 . U . 50673 1 63 . U . 50673 1 64 . C . 50673 1 65 . U . 50673 1 66 . C . 50673 1 67 . U . 50673 1 68 . A . 50673 1 69 . A . 50673 1 70 . A . 50673 1 71 . C . 50673 1 72 . G . 50673 1 73 . A . 50673 1 74 . A . 50673 1 75 . C . 50673 1 76 . U . 50673 1 77 . U . 50673 1 78 . U . 50673 1 79 . A . 50673 1 80 . A . 50673 1 81 . A . 50673 1 82 . A . 50673 1 83 . U . 50673 1 84 . C . 50673 1 85 . U . 50673 1 86 . G . 50673 1 87 . U . 50673 1 88 . G . 50673 1 89 . U . 50673 1 90 . G . 50673 1 91 . G . 50673 1 92 . C . 50673 1 93 . U . 50673 1 94 . G . 50673 1 95 . U . 50673 1 96 . C . 50673 1 97 . A . 50673 1 98 . C . 50673 1 99 . U . 50673 1 100 . C . 50673 1 101 . G . 50673 1 102 . G . 50673 1 103 . C . 50673 1 104 . U . 50673 1 105 . G . 50673 1 106 . C . 50673 1 107 . A . 50673 1 108 . U . 50673 1 109 . G . 50673 1 110 . C . 50673 1 111 . U . 50673 1 112 . U . 50673 1 113 . A . 50673 1 114 . G . 50673 1 115 . U . 50673 1 116 . G . 50673 1 117 . C . 50673 1 118 . A . 50673 1 119 . C . 50673 1 120 . U . 50673 1 121 . C . 50673 1 122 . A . 50673 1 123 . C . 50673 1 124 . G . 50673 1 125 . C . 50673 1 126 . A . 50673 1 127 . G . 50673 1 128 . U . 50673 1 129 . A . 50673 1 130 . U . 50673 1 131 . A . 50673 1 132 . A . 50673 1 133 . U . 50673 1 134 . U . 50673 1 135 . A . 50673 1 136 . A . 50673 1 137 . U . 50673 1 138 . A . 50673 1 139 . A . 50673 1 140 . C . 50673 1 141 . U . 50673 1 142 . A . 50673 1 143 . A . 50673 1 144 . U . 50673 1 145 . U . 50673 1 146 . A . 50673 1 147 . C . 50673 1 148 . U . 50673 1 149 . G . 50673 1 150 . U . 50673 1 151 . C . 50673 1 152 . G . 50673 1 153 . U . 50673 1 154 . U . 50673 1 155 . G . 50673 1 156 . A . 50673 1 157 . C . 50673 1 158 . A . 50673 1 159 . G . 50673 1 160 . G . 50673 1 161 . A . 50673 1 162 . C . 50673 1 163 . A . 50673 1 164 . C . 50673 1 165 . G . 50673 1 166 . A . 50673 1 167 . G . 50673 1 168 . U . 50673 1 169 . A . 50673 1 170 . A . 50673 1 171 . C . 50673 1 172 . U . 50673 1 173 . C . 50673 1 174 . G . 50673 1 175 . U . 50673 1 176 . C . 50673 1 177 . U . 50673 1 178 . A . 50673 1 179 . U . 50673 1 180 . C . 50673 1 181 . U . 50673 1 182 . U . 50673 1 183 . C . 50673 1 184 . U . 50673 1 185 . G . 50673 1 186 . C . 50673 1 187 . A . 50673 1 188 . G . 50673 1 189 . G . 50673 1 190 . C . 50673 1 191 . U . 50673 1 192 . G . 50673 1 193 . C . 50673 1 194 . U . 50673 1 195 . U . 50673 1 196 . A . 50673 1 197 . C . 50673 1 198 . G . 50673 1 199 . G . 50673 1 200 . U . 50673 1 201 . U . 50673 1 202 . U . 50673 1 203 . C . 50673 1 204 . G . 50673 1 205 . U . 50673 1 206 . C . 50673 1 207 . C . 50673 1 208 . G . 50673 1 209 . U . 50673 1 210 . G . 50673 1 211 . U . 50673 1 212 . U . 50673 1 213 . G . 50673 1 214 . C . 50673 1 215 . A . 50673 1 216 . G . 50673 1 217 . C . 50673 1 218 . C . 50673 1 219 . G . 50673 1 220 . A . 50673 1 221 . U . 50673 1 222 . C . 50673 1 223 . A . 50673 1 224 . U . 50673 1 225 . C . 50673 1 226 . A . 50673 1 227 . G . 50673 1 228 . C . 50673 1 229 . A . 50673 1 230 . C . 50673 1 231 . A . 50673 1 232 . U . 50673 1 233 . C . 50673 1 234 . U . 50673 1 235 . A . 50673 1 236 . G . 50673 1 237 . G . 50673 1 238 . U . 50673 1 239 . U . 50673 1 240 . U . 50673 1 241 . C . 50673 1 242 . G . 50673 1 243 . U . 50673 1 244 . C . 50673 1 245 . C . 50673 1 246 . G . 50673 1 247 . G . 50673 1 248 . G . 50673 1 249 . U . 50673 1 250 . G . 50673 1 251 . U . 50673 1 252 . G . 50673 1 253 . A . 50673 1 254 . C . 50673 1 255 . C . 50673 1 256 . G . 50673 1 257 . A . 50673 1 258 . A . 50673 1 259 . A . 50673 1 260 . G . 50673 1 261 . G . 50673 1 262 . U . 50673 1 263 . A . 50673 1 264 . A . 50673 1 265 . G . 50673 1 266 . A . 50673 1 267 . U . 50673 1 268 . G . 50673 1 269 . G . 50673 1 270 . A . 50673 1 271 . G . 50673 1 272 . A . 50673 1 273 . G . 50673 1 274 . C . 50673 1 275 . C . 50673 1 276 . U . 50673 1 277 . U . 50673 1 278 . G . 50673 1 279 . U . 50673 1 280 . C . 50673 1 281 . C . 50673 1 282 . C . 50673 1 283 . U . 50673 1 284 . G . 50673 1 285 . G . 50673 1 286 . U . 50673 1 287 . U . 50673 1 288 . U . 50673 1 289 . C . 50673 1 290 . A . 50673 1 291 . A . 50673 1 292 . C . 50673 1 293 . G . 50673 1 294 . A . 50673 1 295 . G . 50673 1 296 . A . 50673 1 297 . A . 50673 1 298 . A . 50673 1 299 . A . 50673 1 300 . C . 50673 1 301 . A . 50673 1 302 . C . 50673 1 303 . A . 50673 1 304 . C . 50673 1 305 . G . 50673 1 306 . U . 50673 1 307 . C . 50673 1 308 . C . 50673 1 309 . A . 50673 1 310 . A . 50673 1 311 . C . 50673 1 312 . U . 50673 1 313 . C . 50673 1 314 . A . 50673 1 315 . G . 50673 1 316 . U . 50673 1 317 . U . 50673 1 318 . U . 50673 1 319 . G . 50673 1 320 . C . 50673 1 321 . C . 50673 1 322 . U . 50673 1 323 . G . 50673 1 324 . U . 50673 1 325 . U . 50673 1 326 . U . 50673 1 327 . U . 50673 1 328 . A . 50673 1 329 . C . 50673 1 330 . A . 50673 1 331 . G . 50673 1 332 . G . 50673 1 333 . U . 50673 1 334 . U . 50673 1 335 . C . 50673 1 336 . G . 50673 1 337 . C . 50673 1 338 . G . 50673 1 339 . A . 50673 1 340 . C . 50673 1 341 . G . 50673 1 342 . U . 50673 1 343 . G . 50673 1 344 . C . 50673 1 345 . U . 50673 1 346 . C . 50673 1 347 . G . 50673 1 348 . U . 50673 1 349 . A . 50673 1 350 . C . 50673 1 351 . G . 50673 1 352 . U . 50673 1 353 . G . 50673 1 354 . G . 50673 1 355 . C . 50673 1 356 . U . 50673 1 357 . U . 50673 1 358 . U . 50673 1 359 . G . 50673 1 360 . G . 50673 1 361 . A . 50673 1 362 . G . 50673 1 363 . A . 50673 1 364 . C . 50673 1 365 . U . 50673 1 366 . C . 50673 1 367 . C . 50673 1 368 . G . 50673 1 369 . U . 50673 1 370 . G . 50673 1 371 . G . 50673 1 372 . A . 50673 1 373 . G . 50673 1 374 . G . 50673 1 375 . A . 50673 1 376 . G . 50673 1 377 . G . 50673 1 378 . U . 50673 1 379 . C . 50673 1 380 . U . 50673 1 381 . U . 50673 1 382 . A . 50673 1 383 . U . 50673 1 384 . C . 50673 1 385 . A . 50673 1 386 . G . 50673 1 387 . A . 50673 1 388 . G . 50673 1 389 . G . 50673 1 390 . C . 50673 1 391 . A . 50673 1 392 . C . 50673 1 393 . G . 50673 1 394 . U . 50673 1 395 . C . 50673 1 396 . A . 50673 1 397 . A . 50673 1 398 . C . 50673 1 399 . A . 50673 1 400 . U . 50673 1 401 . C . 50673 1 402 . U . 50673 1 403 . U . 50673 1 404 . A . 50673 1 405 . A . 50673 1 406 . A . 50673 1 407 . G . 50673 1 408 . A . 50673 1 409 . U . 50673 1 410 . G . 50673 1 411 . G . 50673 1 412 . C . 50673 1 413 . A . 50673 1 414 . C . 50673 1 415 . U . 50673 1 416 . U . 50673 1 417 . G . 50673 1 418 . U . 50673 1 419 . G . 50673 1 420 . G . 50673 1 421 . C . 50673 1 422 . U . 50673 1 423 . U . 50673 1 424 . A . 50673 1 425 . G . 50673 1 426 . U . 50673 1 427 . A . 50673 1 428 . G . 50673 1 429 . A . 50673 1 430 . A . 50673 1 431 . G . 50673 1 432 . U . 50673 1 433 . U . 50673 1 434 . G . 50673 1 435 . A . 50673 1 436 . A . 50673 1 437 . A . 50673 1 438 . A . 50673 1 439 . A . 50673 1 440 . G . 50673 1 441 . G . 50673 1 442 . C . 50673 1 443 . G . 50673 1 444 . U . 50673 1 445 . U . 50673 1 446 . U . 50673 1 447 . U . 50673 1 448 . G . 50673 1 449 . C . 50673 1 450 . C . 50673 1 451 . U . 50673 1 452 . C . 50673 1 453 . A . 50673 1 454 . A . 50673 1 455 . C . 50673 1 456 . U . 50673 1 457 . U . 50673 1 458 . G . 50673 1 459 . A . 50673 1 460 . A . 50673 1 461 . C . 50673 1 462 . A . 50673 1 463 . G . 50673 1 464 . C . 50673 1 465 . C . 50673 1 466 . C . 50673 1 467 . U . 50673 1 468 . A . 50673 1 469 . U . 50673 1 470 . G . 50673 1 471 . U . 50673 1 472 . G . 50673 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 . A 1 1 50673 1 . U 2 2 50673 1 . U 3 3 50673 1 . A 4 4 50673 1 . A 5 5 50673 1 . A 6 6 50673 1 . G 7 7 50673 1 . G 8 8 50673 1 . U 9 9 50673 1 . U 10 10 50673 1 . U 11 11 50673 1 . A 12 12 50673 1 . U 13 13 50673 1 . A 14 14 50673 1 . C 15 15 50673 1 . C 16 16 50673 1 . U 17 17 50673 1 . U 18 18 50673 1 . C 19 19 50673 1 . C 20 20 50673 1 . C 21 21 50673 1 . A 22 22 50673 1 . G 23 23 50673 1 . G 24 24 50673 1 . U 25 25 50673 1 . A 26 26 50673 1 . A 27 27 50673 1 . C 28 28 50673 1 . A 29 29 50673 1 . A 30 30 50673 1 . A 31 31 50673 1 . C 32 32 50673 1 . C 33 33 50673 1 . A 34 34 50673 1 . A 35 35 50673 1 . C 36 36 50673 1 . C 37 37 50673 1 . A 38 38 50673 1 . A 39 39 50673 1 . C 40 40 50673 1 . U 41 41 50673 1 . U 42 42 50673 1 . U 43 43 50673 1 . C 44 44 50673 1 . G 45 45 50673 1 . A 46 46 50673 1 . U 47 47 50673 1 . C 48 48 50673 1 . U 49 49 50673 1 . C 50 50 50673 1 . U 51 51 50673 1 . U 52 52 50673 1 . G 53 53 50673 1 . U 54 54 50673 1 . A 55 55 50673 1 . G 56 56 50673 1 . A 57 57 50673 1 . U 58 58 50673 1 . C 59 59 50673 1 . U 60 60 50673 1 . G 61 61 50673 1 . U 62 62 50673 1 . U 63 63 50673 1 . C 64 64 50673 1 . U 65 65 50673 1 . C 66 66 50673 1 . U 67 67 50673 1 . A 68 68 50673 1 . A 69 69 50673 1 . A 70 70 50673 1 . C 71 71 50673 1 . G 72 72 50673 1 . A 73 73 50673 1 . A 74 74 50673 1 . C 75 75 50673 1 . U 76 76 50673 1 . U 77 77 50673 1 . U 78 78 50673 1 . A 79 79 50673 1 . A 80 80 50673 1 . A 81 81 50673 1 . A 82 82 50673 1 . U 83 83 50673 1 . C 84 84 50673 1 . U 85 85 50673 1 . G 86 86 50673 1 . U 87 87 50673 1 . G 88 88 50673 1 . U 89 89 50673 1 . G 90 90 50673 1 . G 91 91 50673 1 . C 92 92 50673 1 . U 93 93 50673 1 . G 94 94 50673 1 . U 95 95 50673 1 . C 96 96 50673 1 . A 97 97 50673 1 . C 98 98 50673 1 . U 99 99 50673 1 . C 100 100 50673 1 . G 101 101 50673 1 . G 102 102 50673 1 . C 103 103 50673 1 . U 104 104 50673 1 . G 105 105 50673 1 . C 106 106 50673 1 . A 107 107 50673 1 . U 108 108 50673 1 . G 109 109 50673 1 . C 110 110 50673 1 . U 111 111 50673 1 . U 112 112 50673 1 . A 113 113 50673 1 . G 114 114 50673 1 . U 115 115 50673 1 . G 116 116 50673 1 . C 117 117 50673 1 . A 118 118 50673 1 . C 119 119 50673 1 . U 120 120 50673 1 . C 121 121 50673 1 . A 122 122 50673 1 . C 123 123 50673 1 . G 124 124 50673 1 . C 125 125 50673 1 . A 126 126 50673 1 . G 127 127 50673 1 . U 128 128 50673 1 . A 129 129 50673 1 . U 130 130 50673 1 . A 131 131 50673 1 . A 132 132 50673 1 . U 133 133 50673 1 . U 134 134 50673 1 . A 135 135 50673 1 . A 136 136 50673 1 . U 137 137 50673 1 . A 138 138 50673 1 . A 139 139 50673 1 . C 140 140 50673 1 . U 141 141 50673 1 . A 142 142 50673 1 . A 143 143 50673 1 . U 144 144 50673 1 . U 145 145 50673 1 . A 146 146 50673 1 . C 147 147 50673 1 . U 148 148 50673 1 . G 149 149 50673 1 . U 150 150 50673 1 . C 151 151 50673 1 . G 152 152 50673 1 . U 153 153 50673 1 . U 154 154 50673 1 . G 155 155 50673 1 . A 156 156 50673 1 . C 157 157 50673 1 . A 158 158 50673 1 . G 159 159 50673 1 . G 160 160 50673 1 . A 161 161 50673 1 . C 162 162 50673 1 . A 163 163 50673 1 . C 164 164 50673 1 . G 165 165 50673 1 . A 166 166 50673 1 . G 167 167 50673 1 . U 168 168 50673 1 . A 169 169 50673 1 . A 170 170 50673 1 . C 171 171 50673 1 . U 172 172 50673 1 . C 173 173 50673 1 . G 174 174 50673 1 . U 175 175 50673 1 . C 176 176 50673 1 . U 177 177 50673 1 . A 178 178 50673 1 . U 179 179 50673 1 . C 180 180 50673 1 . U 181 181 50673 1 . U 182 182 50673 1 . C 183 183 50673 1 . U 184 184 50673 1 . G 185 185 50673 1 . C 186 186 50673 1 . A 187 187 50673 1 . G 188 188 50673 1 . G 189 189 50673 1 . C 190 190 50673 1 . U 191 191 50673 1 . G 192 192 50673 1 . C 193 193 50673 1 . U 194 194 50673 1 . U 195 195 50673 1 . A 196 196 50673 1 . C 197 197 50673 1 . G 198 198 50673 1 . G 199 199 50673 1 . U 200 200 50673 1 . U 201 201 50673 1 . U 202 202 50673 1 . C 203 203 50673 1 . G 204 204 50673 1 . U 205 205 50673 1 . C 206 206 50673 1 . C 207 207 50673 1 . G 208 208 50673 1 . U 209 209 50673 1 . G 210 210 50673 1 . U 211 211 50673 1 . U 212 212 50673 1 . G 213 213 50673 1 . C 214 214 50673 1 . A 215 215 50673 1 . G 216 216 50673 1 . C 217 217 50673 1 . C 218 218 50673 1 . G 219 219 50673 1 . A 220 220 50673 1 . U 221 221 50673 1 . C 222 222 50673 1 . A 223 223 50673 1 . U 224 224 50673 1 . C 225 225 50673 1 . A 226 226 50673 1 . G 227 227 50673 1 . C 228 228 50673 1 . A 229 229 50673 1 . C 230 230 50673 1 . A 231 231 50673 1 . U 232 232 50673 1 . C 233 233 50673 1 . U 234 234 50673 1 . A 235 235 50673 1 . G 236 236 50673 1 . G 237 237 50673 1 . U 238 238 50673 1 . U 239 239 50673 1 . U 240 240 50673 1 . C 241 241 50673 1 . G 242 242 50673 1 . U 243 243 50673 1 . C 244 244 50673 1 . C 245 245 50673 1 . G 246 246 50673 1 . G 247 247 50673 1 . G 248 248 50673 1 . U 249 249 50673 1 . G 250 250 50673 1 . U 251 251 50673 1 . G 252 252 50673 1 . A 253 253 50673 1 . C 254 254 50673 1 . C 255 255 50673 1 . G 256 256 50673 1 . A 257 257 50673 1 . A 258 258 50673 1 . A 259 259 50673 1 . G 260 260 50673 1 . G 261 261 50673 1 . U 262 262 50673 1 . A 263 263 50673 1 . A 264 264 50673 1 . G 265 265 50673 1 . A 266 266 50673 1 . U 267 267 50673 1 . G 268 268 50673 1 . G 269 269 50673 1 . A 270 270 50673 1 . G 271 271 50673 1 . A 272 272 50673 1 . G 273 273 50673 1 . C 274 274 50673 1 . C 275 275 50673 1 . U 276 276 50673 1 . U 277 277 50673 1 . G 278 278 50673 1 . U 279 279 50673 1 . C 280 280 50673 1 . C 281 281 50673 1 . C 282 282 50673 1 . U 283 283 50673 1 . G 284 284 50673 1 . G 285 285 50673 1 . U 286 286 50673 1 . U 287 287 50673 1 . U 288 288 50673 1 . C 289 289 50673 1 . A 290 290 50673 1 . A 291 291 50673 1 . C 292 292 50673 1 . G 293 293 50673 1 . A 294 294 50673 1 . G 295 295 50673 1 . A 296 296 50673 1 . A 297 297 50673 1 . A 298 298 50673 1 . A 299 299 50673 1 . C 300 300 50673 1 . A 301 301 50673 1 . C 302 302 50673 1 . A 303 303 50673 1 . C 304 304 50673 1 . G 305 305 50673 1 . U 306 306 50673 1 . C 307 307 50673 1 . C 308 308 50673 1 . A 309 309 50673 1 . A 310 310 50673 1 . C 311 311 50673 1 . U 312 312 50673 1 . C 313 313 50673 1 . A 314 314 50673 1 . G 315 315 50673 1 . U 316 316 50673 1 . U 317 317 50673 1 . U 318 318 50673 1 . G 319 319 50673 1 . C 320 320 50673 1 . C 321 321 50673 1 . U 322 322 50673 1 . G 323 323 50673 1 . U 324 324 50673 1 . U 325 325 50673 1 . U 326 326 50673 1 . U 327 327 50673 1 . A 328 328 50673 1 . C 329 329 50673 1 . A 330 330 50673 1 . G 331 331 50673 1 . G 332 332 50673 1 . U 333 333 50673 1 . U 334 334 50673 1 . C 335 335 50673 1 . G 336 336 50673 1 . C 337 337 50673 1 . G 338 338 50673 1 . A 339 339 50673 1 . C 340 340 50673 1 . G 341 341 50673 1 . U 342 342 50673 1 . G 343 343 50673 1 . C 344 344 50673 1 . U 345 345 50673 1 . C 346 346 50673 1 . G 347 347 50673 1 . U 348 348 50673 1 . A 349 349 50673 1 . C 350 350 50673 1 . G 351 351 50673 1 . U 352 352 50673 1 . G 353 353 50673 1 . G 354 354 50673 1 . C 355 355 50673 1 . U 356 356 50673 1 . U 357 357 50673 1 . U 358 358 50673 1 . G 359 359 50673 1 . G 360 360 50673 1 . A 361 361 50673 1 . G 362 362 50673 1 . A 363 363 50673 1 . C 364 364 50673 1 . U 365 365 50673 1 . C 366 366 50673 1 . C 367 367 50673 1 . G 368 368 50673 1 . U 369 369 50673 1 . G 370 370 50673 1 . G 371 371 50673 1 . A 372 372 50673 1 . G 373 373 50673 1 . G 374 374 50673 1 . A 375 375 50673 1 . G 376 376 50673 1 . G 377 377 50673 1 . U 378 378 50673 1 . C 379 379 50673 1 . U 380 380 50673 1 . U 381 381 50673 1 . A 382 382 50673 1 . U 383 383 50673 1 . C 384 384 50673 1 . A 385 385 50673 1 . G 386 386 50673 1 . A 387 387 50673 1 . G 388 388 50673 1 . G 389 389 50673 1 . C 390 390 50673 1 . A 391 391 50673 1 . C 392 392 50673 1 . G 393 393 50673 1 . U 394 394 50673 1 . C 395 395 50673 1 . A 396 396 50673 1 . A 397 397 50673 1 . C 398 398 50673 1 . A 399 399 50673 1 . U 400 400 50673 1 . C 401 401 50673 1 . U 402 402 50673 1 . U 403 403 50673 1 . A 404 404 50673 1 . A 405 405 50673 1 . A 406 406 50673 1 . G 407 407 50673 1 . A 408 408 50673 1 . U 409 409 50673 1 . G 410 410 50673 1 . G 411 411 50673 1 . C 412 412 50673 1 . A 413 413 50673 1 . C 414 414 50673 1 . U 415 415 50673 1 . U 416 416 50673 1 . G 417 417 50673 1 . U 418 418 50673 1 . G 419 419 50673 1 . G 420 420 50673 1 . C 421 421 50673 1 . U 422 422 50673 1 . U 423 423 50673 1 . A 424 424 50673 1 . G 425 425 50673 1 . U 426 426 50673 1 . A 427 427 50673 1 . G 428 428 50673 1 . A 429 429 50673 1 . A 430 430 50673 1 . G 431 431 50673 1 . U 432 432 50673 1 . U 433 433 50673 1 . G 434 434 50673 1 . A 435 435 50673 1 . A 436 436 50673 1 . A 437 437 50673 1 . A 438 438 50673 1 . A 439 439 50673 1 . G 440 440 50673 1 . G 441 441 50673 1 . C 442 442 50673 1 . G 443 443 50673 1 . U 444 444 50673 1 . U 445 445 50673 1 . U 446 446 50673 1 . U 447 447 50673 1 . G 448 448 50673 1 . C 449 449 50673 1 . C 450 450 50673 1 . U 451 451 50673 1 . C 452 452 50673 1 . A 453 453 50673 1 . A 454 454 50673 1 . C 455 455 50673 1 . U 456 456 50673 1 . U 457 457 50673 1 . G 458 458 50673 1 . A 459 459 50673 1 . A 460 460 50673 1 . C 461 461 50673 1 . A 462 462 50673 1 . G 463 463 50673 1 . C 464 464 50673 1 . C 465 465 50673 1 . C 466 466 50673 1 . U 467 467 50673 1 . A 468 468 50673 1 . U 469 469 50673 1 . G 470 470 50673 1 . U 471 471 50673 1 . G 472 472 50673 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 50673 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 'This entity represents the 768 compound iNEXT fragment screening library.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 50673 _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 . 2697049 organism . 'SARS coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . . . 50673 1 2 2 $entity_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 50673 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 50673 _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 . transcription in-vitro . . . . . . . . . . . . . . . 50673 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 50673 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50673 _Sample.ID 1 _Sample.Name 'RNA plus fragment mix' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; A generic binding experiment sample is described containing the RNA molecule and 12 fragments taken from the DSI-PL. In all 64 total samples were used each containing 12 fragments from the 768 compound iNEXT fragment library. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O: 5% DMSO' _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 5_UTR 'natural abundance' . . 1 $entity_1 . . 10 . . uM . . . . 50673 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50673 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50673 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 50673 1 5 DMSO '[U-100% 2H]' . . . . . . 5 . . % . . . . 50673 1 6 'Fragment 1' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 7 'Fragment 2' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 8 'Fragment 3' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 9 'Fragment 4' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 10 'Fragment 5' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 11 'Fragment 6' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 12 'Fragment 7' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 13 'Fragment 8' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 14 'Fragment 9' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 15 'Fragment 10' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 16 'Fragment 11' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 17 'Fragment 12' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50673 _Sample.ID 2 _Sample.Name 'Fragment mix reference' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; A generic reference sample is described containing 12 fragments taken from the iNEXT fragment library. In total 64 samples were used containing each containing a set of 12 fragments from the 768 compound iNEXT fragment library matched as reference samples to the 64 samples used in the binding study. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O: 5% DMSO' _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 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50673 2 2 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50673 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 50673 2 4 DMSO '[U-100% 2H]' . . . . . . 5 . . % . . . . 50673 2 5 'Fragment 1' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 6 'Fragment 2' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 7 'Fragment 3' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 8 'Fragment 4' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 9 'Fragment 5' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 10 'Fragment 6' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 11 'Fragment 7' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 12 'Fragment 8' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 13 'Fragment 9' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 14 'Fragment 10' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 15 'Fragment 11' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 16 'Fragment 12' 'natural abundance' . . . . . . 200 . . uM . . . . 50673 2 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 50673 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'RNA binding conditions' _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' 75 . mM 50673 1 pH 6.2 . pH 50673 1 pressure 1 . atm 50673 1 temperature 293 . K 50673 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50673 _Software.ID 1 _Software.Type . _Software.Name LOGS _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50673 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50673 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50673 2 'data analysis' . 50673 2 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 50673 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Bruker 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 50673 _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 '1D 1H' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 2 '1D 1H waterLOGSY' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 3 '1H R2 CPMG 5ms' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 4 '1H R2 CPMG 100ms' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 5 '1D 1H ref' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 6 '1D 1H waterLOGSY ref' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 7 '1H R2 CPMG 5ms ref' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 1 8 '1H R2 CPMG 100ms ref' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50673 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 '1D 1H' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 1 '1D 1H' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 2 '1D 1H waterLOGSY' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 2 '1D 1H waterLOGSY' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 3 '1H R2 CPMG 5ms' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 3 '1H R2 CPMG 5ms' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 4 '1H R2 CPMG 100ms' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 4 '1H R2 CPMG 100ms' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 5 '1D 1H ref' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 5 '1D 1H ref' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 6 '1D 1H waterLOGSY ref' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 6 '1D 1H waterLOGSY ref' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 7 '1H R2 CPMG 5ms ref' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 7 '1H R2 CPMG 5ms ref' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 8 '1H R2 CPMG 100ms ref' 19_Hits_5_UTR_DSI-PL_COVID19.xlsx . 'RNA fragment binding data' . . 50673 1 8 '1H R2 CPMG 100ms ref' Covid19-RNA_Screen_5-geUTR.zip . 'Time-domain (raw spectral data)' . . 50673 1 stop_ save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category other_data_types _Other_data_type_list.Sf_framecode other_data_types_1 _Other_data_type_list.Entry_ID 50673 _Other_data_type_list.ID 1 _Other_data_type_list.Name 'RNA fragment binding data' _Other_data_type_list.Definition 'RNA fragment binding data' _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Chem_shift_reference_ID . _Other_data_type_list.Chem_shift_reference_label . _Other_data_type_list.Details ; Fragment Based Screening; The dataset is linked through "_Experiment_file.#" loop. ; _Other_data_type_list.Text_data_format . _Other_data_type_list.Text_data . loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 '1D 1H' . . . 50673 1 2 '1D 1H waterLOGSY' . . . 50673 1 3 '1H R2 CPMG 5ms' . . . 50673 1 4 '1H R2 CPMG 100ms' . . . 50673 1 5 '1D 1H ref' . . . 50673 1 6 '1D 1H waterLOGSY ref' . . . 50673 1 7 '1H R2 CPMG 5ms ref' . . . 50673 1 8 '1H R2 CPMG 100ms ref' . . . 50673 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $software_1 . . 50673 1 2 $software_2 . . 50673 1 stop_ save_