data_16487 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N and 13C chemical shift assignments for HCV-1b Core+1/S polypeptide. ; _BMRB_accession_number 16487 _BMRB_flat_file_name bmr16487.str _Entry_type original _Submission_date 2009-09-09 _Accession_date 2009-09-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boumlic Anissa . . 2 Nomine Yves . . 3 Kieffer Bruno . . 4 Trave Gilles . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 48 "13C chemical shifts" 157 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-02-23 update BMRB 'completed entry citation' 2010-01-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Prevalence of intrinsic disorder in the hepatitis C virus ARFP/Core+1/S protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20067524 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boumlic Anissa . . 2 Nomine Yves . . 3 Charbonnier Sebastian . . 4 Dalagiorgou Georgia . . 5 Vassilaki Niki . . 6 Kieffer Bruno . . 7 Trave Gilles . . 8 Mavromara Penelope . . 9 Orfanoudakis Georges . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 277 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 774 _Page_last 789 _Year 2010 _Details . loop_ _Keyword ARFP Core+1/S HCV 'intrinsic disorder' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HCV-1b Core+1/S' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'unit 1' $HCV-1b_Core+1_S stop_ _System_molecular_weight 6075.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HCV-1b_Core+1_S _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HCV-1b_Core+1/S _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; GAMAMRAWGGQDGSCHPVAP GLVGAPMTPGVGRVIWVRSS IPSRAASPTSWGTFRSSAPP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 ALA 3 1 MET 4 2 ALA 5 3 MET 6 4 ARG 7 5 ALA 8 6 TRP 9 7 GLY 10 8 GLY 11 9 GLN 12 10 ASP 13 11 GLY 14 12 SER 15 13 CYS 16 14 HIS 17 15 PRO 18 16 VAL 19 17 ALA 20 18 PRO 21 19 GLY 22 20 LEU 23 21 VAL 24 22 GLY 25 23 ALA 26 24 PRO 27 25 MET 28 26 THR 29 27 PRO 30 28 GLY 31 29 VAL 32 30 GLY 33 31 ARG 34 32 VAL 35 33 ILE 36 34 TRP 37 35 VAL 38 36 ARG 39 37 SER 40 38 SER 41 39 ILE 42 40 PRO 43 41 SER 44 42 ARG 45 43 ALA 46 44 ALA 47 45 SER 48 46 PRO 49 47 THR 50 48 SER 51 49 TRP 52 50 GLY 53 51 THR 54 52 PHE 55 53 ARG 56 54 SER 57 55 SER 58 56 ALA 59 57 PRO 60 58 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HCV-1b_Core+1_S 'Hepatitis C virus' 11103 Viruses . Hepacivirus 'Hepatitis C virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HCV-1b_Core+1_S 'recombinant technology' . Escherichia coli . pET-20b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HCV-1b_Core+1_S 400 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 400 mM 'natural abundance' DTT 2 mM 'natural abundance' Arginine 50 mM 'natural abundance' 'Glutamic acid' 50 mM 'natural abundance' D2O 7 % 'natural abundance' H2O 93 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 296 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbon' ppm 0.00 external indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1 DSS N 15 nitrogen ppm 0 external indirect . . . 0.10132905 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'unit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 MET H H 8.48 0.02 1 2 1 3 MET C C 176.0 0.3 1 3 1 3 MET CA C 55.4 0.3 1 4 1 3 MET CB C 33.0 0.3 1 5 1 3 MET N N 120.6 0.3 1 6 2 4 ALA H H 8.33 0.02 1 7 2 4 ALA C C 177.5 0.3 1 8 2 4 ALA CA C 52.5 0.3 1 9 2 4 ALA CB C 19.0 0.3 1 10 2 4 ALA N N 126.2 0.3 1 11 3 5 MET H H 8.27 0.02 1 12 3 5 MET C C 176.2 0.3 1 13 3 5 MET CA C 55.3 0.3 1 14 3 5 MET CB C 32.9 0.3 1 15 3 5 MET N N 120.3 0.3 1 16 4 6 ARG H H 8.26 0.02 1 17 4 6 ARG C C 175.9 0.3 1 18 4 6 ARG CA C 55.9 0.3 1 19 4 6 ARG CB C 30.6 0.3 1 20 4 6 ARG N N 123.0 0.3 1 21 5 7 ALA H H 8.26 0.02 1 22 5 7 ALA C C 177.3 0.3 1 23 5 7 ALA CA C 52.4 0.3 1 24 5 7 ALA CB C 19.3 0.3 1 25 5 7 ALA N N 125.6 0.3 1 26 6 8 TRP H H 8.13 0.02 1 27 6 8 TRP C C 176.7 0.3 1 28 6 8 TRP CA C 57.2 0.3 1 29 6 8 TRP CB C 29.7 0.3 1 30 6 8 TRP N N 121.0 0.3 1 31 7 9 GLY H H 8.28 0.02 1 32 7 9 GLY C C 174.5 0.3 1 33 7 9 GLY CA C 45.4 0.3 1 34 7 9 GLY N N 111.6 0.3 1 35 8 10 GLY H H 7.73 0.02 1 36 8 10 GLY C C 174.3 0.3 1 37 8 10 GLY CA C 45.2 0.3 1 38 8 10 GLY N N 108.6 0.3 1 39 9 11 GLN H H 8.30 0.02 1 40 9 11 GLN C C 175.9 0.3 1 41 9 11 GLN CA C 55.9 0.3 1 42 9 11 GLN CB C 29.4 0.3 1 43 9 11 GLN N N 120.3 0.3 1 44 10 12 ASP H H 8.42 0.02 1 45 10 12 ASP C C 176.8 0.3 1 46 10 12 ASP CA C 54.4 0.3 1 47 10 12 ASP CB C 41.1 0.3 1 48 10 12 ASP N N 121.8 0.3 1 49 11 13 GLY H H 8.34 0.02 1 50 11 13 GLY C C 174.5 0.3 1 51 11 13 GLY CA C 45.5 0.3 1 52 11 13 GLY N N 110.3 0.3 1 53 12 14 SER H H 8.22 0.02 1 54 12 14 SER C C 173.7 0.3 1 55 12 14 SER CA C 58.6 0.3 1 56 12 14 SER CB C 64.0 0.3 1 57 12 14 SER N N 116.3 0.3 1 58 13 15 CYS H H 8.01 0.02 1 59 13 15 CYS C C 178.7 0.3 1 60 13 15 CYS CA C 59.5 0.3 1 61 13 15 CYS CB C 28.9 0.3 1 62 13 15 CYS N N 125.1 0.3 1 63 15 17 PRO C C 176.7 0.3 1 64 15 17 PRO CA C 63.0 0.3 1 65 15 17 PRO CB C 32.2 0.3 1 66 16 18 VAL H H 8.26 0.02 1 67 16 18 VAL C C 175.5 0.3 1 68 16 18 VAL CA C 61.9 0.3 1 69 16 18 VAL CB C 32.9 0.3 1 70 16 18 VAL N N 121.2 0.3 1 71 17 19 ALA H H 8.32 0.02 1 72 17 19 ALA C C 175.3 0.3 1 73 17 19 ALA CA C 50.3 0.3 1 74 17 19 ALA CB C 18.3 0.3 1 75 17 19 ALA N N 129.6 0.3 1 76 18 20 PRO C C 177.4 0.3 1 77 18 20 PRO CA C 63.4 0.3 1 78 18 20 PRO CB C 32.0 0.3 1 79 19 21 GLY H H 8.44 0.02 1 80 19 21 GLY C C 174.0 0.3 1 81 19 21 GLY CA C 45.2 0.3 1 82 19 21 GLY N N 110.1 0.3 1 83 20 22 LEU H H 8.01 0.02 1 84 20 22 LEU C C 177.4 0.3 1 85 20 22 LEU CA C 55.0 0.3 1 86 20 22 LEU CB C 42.3 0.3 1 87 20 22 LEU N N 122.2 0.3 1 88 21 23 VAL H H 8.10 0.02 1 89 21 23 VAL C C 176.6 0.3 1 90 21 23 VAL CA C 62.6 0.3 1 91 21 23 VAL CB C 32.6 0.3 1 92 21 23 VAL N N 122.0 0.3 1 93 22 24 GLY H H 8.45 0.02 1 94 22 24 GLY C C 173.3 0.3 1 95 22 24 GLY CA C 45.0 0.3 1 96 22 24 GLY N N 113.5 0.3 1 97 23 25 ALA H H 8.03 0.02 1 98 23 25 ALA C C 175.5 0.3 1 99 23 25 ALA CA C 50.4 0.3 1 100 23 25 ALA CB C 18.3 0.3 1 101 23 25 ALA N N 125.5 0.3 1 102 24 26 PRO C C 176.9 0.3 1 103 24 26 PRO CA C 62.9 0.3 1 104 24 26 PRO CB C 32.1 0.3 1 105 25 27 MET H H 8.48 0.02 1 106 25 27 MET C C 176.1 0.3 1 107 25 27 MET CA C 55.4 0.3 1 108 25 27 MET CB C 32.9 0.3 1 109 25 27 MET N N 121.2 0.3 1 110 26 28 THR H H 8.17 0.02 1 111 26 28 THR C C 172.8 0.3 1 112 26 28 THR CA C 59.7 0.3 1 113 26 28 THR CB C 69.7 0.3 1 114 26 28 THR N N 118.6 0.3 1 115 27 29 PRO C C 177.6 0.3 1 116 27 29 PRO CA C 63.3 0.3 1 117 27 29 PRO CB C 31.9 0.3 1 118 28 30 GLY H H 8.39 0.02 1 119 28 30 GLY C C 174.1 0.3 1 120 28 30 GLY CA C 45.2 0.3 1 121 28 30 GLY N N 109.2 0.3 1 122 29 31 VAL H H 7.94 0.02 1 123 29 31 VAL C C 176.7 0.3 1 124 29 31 VAL CA C 62.4 0.3 1 125 29 31 VAL CB C 32.6 0.3 1 126 29 31 VAL N N 119.8 0.3 1 127 30 32 GLY H H 8.50 0.02 1 128 30 32 GLY C C 173.8 0.3 1 129 30 32 GLY CA C 45.2 0.3 1 130 30 32 GLY N N 112.9 0.3 1 131 31 33 ARG H H 8.11 0.02 1 132 31 33 ARG C C 175.9 0.3 1 133 31 33 ARG CA C 55.9 0.3 1 134 31 33 ARG CB C 30.9 0.3 1 135 31 33 ARG N N 121.4 0.3 1 136 32 34 VAL H H 8.19 0.02 1 137 32 34 VAL C C 175.7 0.3 1 138 32 34 VAL CA C 62.4 0.3 1 139 32 34 VAL CB C 32.8 0.3 1 140 32 34 VAL N N 122.9 0.3 1 141 33 35 ILE H H 8.17 0.02 1 142 33 35 ILE C C 175.5 0.3 1 143 33 35 ILE CA C 60.6 0.3 1 144 33 35 ILE CB C 38.8 0.3 1 145 33 35 ILE N N 125.6 0.3 1 146 34 36 TRP H H 8.26 0.02 1 147 34 36 TRP C C 175.7 0.3 1 148 34 36 TRP CA C 56.9 0.3 1 149 34 36 TRP CB C 29.7 0.3 1 150 34 36 TRP N N 126.8 0.3 1 151 35 37 VAL H H 8.06 0.02 1 152 35 37 VAL C C 175.5 0.3 1 153 35 37 VAL CA C 61.8 0.3 1 154 35 37 VAL CB C 33.2 0.3 1 155 35 37 VAL N N 123.6 0.3 1 156 36 38 ARG H H 8.28 0.02 1 157 36 38 ARG C C 175.4 0.3 1 158 36 38 ARG CA C 56.1 0.3 1 159 36 38 ARG CB C 30.7 0.3 1 160 36 38 ARG N N 125.7 0.3 1 161 37 39 SER H H 7.97 0.02 1 162 37 39 SER C C 175.2 0.3 1 163 37 39 SER CA C 59.9 0.3 1 164 37 39 SER CB C 64.8 0.3 1 165 37 39 SER N N 124.1 0.3 1 166 38 40 SER C C 173.9 0.3 1 167 38 40 SER CA C 58.2 0.3 1 168 38 40 SER CB C 63.7 0.3 1 169 39 41 ILE H H 8.13 0.02 1 170 39 41 ILE C C 174.6 0.3 1 171 39 41 ILE CA C 58.8 0.3 1 172 39 41 ILE CB C 38.6 0.3 1 173 39 41 ILE N N 124.4 0.3 1 174 40 42 PRO C C 176.9 0.3 1 175 40 42 PRO CA C 63.3 0.3 1 176 40 42 PRO CB C 32.0 0.3 1 177 41 43 SER H H 8.35 0.02 1 178 41 43 SER C C 174.8 0.3 1 179 41 43 SER CA C 58.4 0.3 1 180 41 43 SER CB C 63.9 0.3 1 181 41 43 SER N N 116.8 0.3 1 182 42 44 ARG H H 8.36 0.02 1 183 42 44 ARG C C 175.8 0.3 1 184 42 44 ARG CA C 56.0 0.3 1 185 42 44 ARG CB C 30.7 0.3 1 186 42 44 ARG N N 123.7 0.3 1 187 43 45 ALA H H 8.28 0.02 1 188 43 45 ALA C C 177.3 0.3 1 189 43 45 ALA CA C 52.3 0.3 1 190 43 45 ALA CB C 19.3 0.3 1 191 43 45 ALA N N 125.9 0.3 1 192 44 46 ALA H H 8.22 0.02 1 193 44 46 ALA C C 177.4 0.3 1 194 44 46 ALA CA C 52.2 0.3 1 195 44 46 ALA CB C 19.1 0.3 1 196 44 46 ALA N N 123.9 0.3 1 197 45 47 SER H H 8.24 0.02 1 198 45 47 SER C C 172.9 0.3 1 199 45 47 SER CA C 56.2 0.3 1 200 45 47 SER CB C 63.3 0.3 1 201 45 47 SER N N 117.0 0.3 1 202 46 48 PRO C C 177.2 0.3 1 203 46 48 PRO CA C 63.4 0.3 1 204 46 48 PRO CB C 31.9 0.3 1 205 47 49 THR H H 8.12 0.02 1 206 47 49 THR C C 174.8 0.3 1 207 47 49 THR CA C 61.9 0.3 1 208 47 49 THR CB C 69.6 0.3 1 209 47 49 THR N N 113.6 0.3 1 210 48 50 SER H H 8.11 0.02 1 211 48 50 SER C C 174.3 0.3 1 212 48 50 SER CA C 58.4 0.3 1 213 48 50 SER CB C 63.6 0.3 1 214 48 50 SER N N 118.1 0.3 1 215 49 51 TRP H H 8.09 0.02 1 216 49 51 TRP C C 176.7 0.3 1 217 49 51 TRP CA C 57.4 0.3 1 218 49 51 TRP CB C 29.7 0.3 1 219 49 51 TRP N N 123.4 0.3 1 220 50 52 GLY H H 8.18 0.02 1 221 50 52 GLY C C 174.2 0.3 1 222 50 52 GLY CA C 45.4 0.3 1 223 50 52 GLY N N 110.5 0.3 1 224 51 53 THR H H 7.93 0.02 1 225 51 53 THR C C 174.3 0.3 1 226 51 53 THR CA C 62.0 0.3 1 227 51 53 THR CB C 69.6 0.3 1 228 51 53 THR N N 114.3 0.3 1 229 52 54 PHE H H 8.24 0.02 1 230 52 54 PHE C C 175.4 0.3 1 231 52 54 PHE CA C 57.7 0.3 1 232 52 54 PHE CB C 39.4 0.3 1 233 52 54 PHE N N 123.2 0.3 1 234 53 55 ARG H H 8.17 0.02 1 235 53 55 ARG C C 176.0 0.3 1 236 53 55 ARG CA C 55.8 0.3 1 237 53 55 ARG CB C 31.0 0.3 1 238 53 55 ARG N N 123.7 0.3 1 239 54 56 SER H H 8.32 0.02 1 240 54 56 SER C C 174.5 0.3 1 241 54 56 SER CA C 58.2 0.3 1 242 54 56 SER CB C 63.8 0.3 1 243 54 56 SER N N 117.9 0.3 1 244 55 57 SER H H 8.31 0.02 1 245 55 57 SER C C 173.5 0.3 1 246 55 57 SER CA C 58.0 0.3 1 247 55 57 SER CB C 64.0 0.3 1 248 55 57 SER N N 118.4 0.3 1 249 56 58 ALA H H 8.20 0.02 1 250 56 58 ALA C C 174.7 0.3 1 251 56 58 ALA CA C 50.4 0.3 1 252 56 58 ALA CB C 18.1 0.3 1 253 56 58 ALA N N 127.5 0.3 1 stop_ save_