data_19765 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; gbvb5 ; _BMRB_accession_number 19765 _BMRB_flat_file_name bmr19765.str _Entry_type original _Submission_date 2014-02-04 _Accession_date 2014-02-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'structural study of NS2(112-136) GB virusB' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montserret Roland . . 2 Martin Annette . . 3 Penin Francois . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-05 update BMRB 'update entry citation' 2014-05-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18768 'structural study of NS2(2-32) GBVB' 18769 'structural study of NS2(32-57) GBVB' stop_ save_ ############################# # Citation for this entry # ############################# save_gbvb5_ _Saveframe_category entry_citation _Citation_full . _Citation_title 'NS2 Proteins of GB Virus B and Hepatitis C Virus Share Common Protease Activities and Membrane Topologies.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24741107 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Boukadida Celia . . 2 Marnata Caroline . . 3 Montserret Roland . . 4 Cohen Lisette . . 5 Blumen Brigitte . . 6 Gouttenoire Jerome . . 7 Moradpour Darius . . 8 Penin Francois . . 9 Martin Annette . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 88 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7426 _Page_last 7444 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name gbvb5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label gbvb5 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 3116.649 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 25 _Mol_residue_sequence ; HAWYSHYVLKFFLLVFGENG VFFYK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 ALA 3 3 TRP 4 4 TYR 5 5 SER 6 6 HIS 7 7 TYR 8 8 VAL 9 9 LEU 10 10 LYS 11 11 PHE 12 12 PHE 13 13 LEU 14 14 LEU 15 15 VAL 16 16 PHE 17 17 GLY 18 18 GLU 19 19 ASN 20 20 GLY 21 21 VAL 22 22 PHE 23 23 PHE 24 24 TYR 25 25 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2MKB "Structure Of Ns2(113-137) Gbvb Protein" 100.00 25 100.00 100.00 1.47e-07 DBJ BAK24070 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 DBJ BAK24071 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 DBJ BAK24072 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 DBJ BAK24073 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 DBJ BAK24074 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 EMBL CAC33083 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 GB AAC54059 "polypeptide [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 GB AAF01368 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 GB AAP57528 "polyprotein [synthetic construct]" 100.00 2864 100.00 100.00 1.95e-09 GB AGW83695 "polyprotein [synthetic construct]" 100.00 2941 100.00 100.00 1.96e-09 GB AGW83696 "polyprotein [synthetic construct]" 100.00 2906 100.00 100.00 1.96e-09 PRF 2111488B polyprotein 100.00 2864 100.00 100.00 1.95e-09 PRF 2119353B polyprotein 100.00 2864 100.00 100.00 1.95e-09 REF NP_056931 "polyprotein [Hepatitis GB virus B]" 100.00 2864 100.00 100.00 1.95e-09 REF NP_757356 "putative NS2 protein [Hepatitis GB virus B]" 100.00 208 100.00 100.00 1.16e-07 SP Q69422 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein; Contains: RecName: Full=Envelope glycoprotein E1; Conta" 100.00 2864 100.00 100.00 1.95e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . . . . GBVB 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 $entity 'chemical synthesis' . none none . none 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 $entity 2 mM 'natural abundance' TFE 50 '% v/v' '[U-99% 2H]' H2O 50 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.34 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 1000 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 'ionic strength' 0 . M pH 6 . pH pressure 1 . atm temperature 273 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' 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 gbvb5 _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 1 HIS HA H 4.299 0.010 . 2 1 1 HIS HB2 H 3.282 0.010 . 3 1 1 HIS HB3 H 3.282 0.010 . 4 1 1 HIS HD2 H 7.314 0.010 . 5 1 1 HIS HE1 H 8.354 0.010 . 6 2 2 ALA H H 8.753 0.002 . 7 2 2 ALA HA H 4.491 0.004 . 8 2 2 ALA HB H 1.286 0.002 . 9 3 3 TRP H H 8.325 0.010 . 10 3 3 TRP HA H 4.704 0.010 . 11 3 3 TRP HB2 H 3.399 0.010 . 12 3 3 TRP HB3 H 3.356 0.001 . 13 3 3 TRP HD1 H 7.382 0.010 . 14 3 3 TRP HE1 H 10.028 0.002 . 15 3 3 TRP HE3 H 7.667 0.002 . 16 3 3 TRP HZ2 H 7.523 0.001 . 17 3 3 TRP HZ3 H 7.196 0.010 . 18 3 3 TRP HH2 H 7.275 0.010 . 19 4 4 TYR H H 7.159 0.001 . 20 4 4 TYR HA H 4.486 0.010 . 21 4 4 TYR HB2 H 2.975 0.010 . 22 4 4 TYR HB3 H 2.586 0.010 . 23 4 4 TYR HD1 H 6.845 0.010 . 24 4 4 TYR HD2 H 6.845 0.010 . 25 5 5 SER H H 7.889 0.002 . 26 5 5 SER HA H 4.275 0.010 . 27 5 5 SER HB2 H 3.946 0.010 . 28 5 5 SER HB3 H 3.946 0.010 . 29 6 6 HIS H H 8.380 0.001 . 30 6 6 HIS HA H 4.526 0.010 . 31 6 6 HIS HB2 H 3.270 0.010 . 32 6 6 HIS HB3 H 3.270 0.010 . 33 6 6 HIS HD2 H 7.167 0.010 . 34 6 6 HIS HE1 H 8.477 0.010 . 35 7 7 TYR H H 7.851 0.001 . 36 7 7 TYR HA H 4.416 0.001 . 37 7 7 TYR HB2 H 3.229 0.010 . 38 7 7 TYR HB3 H 3.113 0.010 . 39 7 7 TYR HD1 H 7.201 0.010 . 40 7 7 TYR HD2 H 7.201 0.010 . 41 8 8 VAL H H 7.692 0.003 . 42 8 8 VAL HA H 3.897 0.010 . 43 8 8 VAL HB H 2.222 0.002 . 44 8 8 VAL HG1 H 1.123 0.002 . 45 8 8 VAL HG2 H 1.064 0.002 . 46 9 9 LEU H H 7.758 0.001 . 47 9 9 LEU HA H 4.277 0.010 . 48 9 9 LEU HB2 H 1.791 0.010 . 49 9 9 LEU HB3 H 1.732 0.001 . 50 9 9 LEU HD1 H 1.011 0.010 . 51 9 9 LEU HD2 H 0.973 0.010 . 52 10 10 LYS H H 7.706 0.001 . 53 10 10 LYS HA H 4.029 0.001 . 54 10 10 LYS HB2 H 1.962 0.002 . 55 10 10 LYS HB3 H 1.962 0.002 . 56 10 10 LYS HG2 H 1.564 0.010 . 57 10 10 LYS HG3 H 1.470 0.010 . 58 10 10 LYS HD2 H 1.780 0.010 . 59 10 10 LYS HD3 H 1.747 0.010 . 60 10 10 LYS HE2 H 3.019 0.010 . 61 10 10 LYS HE3 H 3.019 0.010 . 62 11 11 PHE H H 7.846 0.002 . 63 11 11 PHE HA H 4.302 0.001 . 64 11 11 PHE HB2 H 3.292 0.001 . 65 11 11 PHE HB3 H 3.153 0.002 . 66 11 11 PHE HD1 H 7.077 0.001 . 67 11 11 PHE HD2 H 7.077 0.001 . 68 12 12 PHE H H 8.361 0.003 . 69 12 12 PHE HA H 4.251 0.003 . 70 12 12 PHE HB2 H 3.311 0.002 . 71 12 12 PHE HB3 H 3.311 0.002 . 72 12 12 PHE HD1 H 7.325 0.003 . 73 12 12 PHE HD2 H 7.325 0.003 . 74 13 13 LEU H H 8.496 0.001 . 75 13 13 LEU HA H 4.168 0.001 . 76 13 13 LEU HB2 H 2.041 0.004 . 77 13 13 LEU HB3 H 1.605 0.002 . 78 13 13 LEU HG H 2.020 0.010 . 79 13 13 LEU HD1 H 0.986 0.010 . 80 13 13 LEU HD2 H 0.986 0.010 . 81 14 14 LEU H H 8.054 0.002 . 82 14 14 LEU HA H 4.207 0.005 . 83 14 14 LEU HB2 H 1.928 0.005 . 84 14 14 LEU HB3 H 1.719 0.001 . 85 14 14 LEU HG H 1.807 0.010 . 86 14 14 LEU HD1 H 0.980 0.010 . 87 14 14 LEU HD2 H 0.946 0.010 . 88 15 15 VAL H H 8.012 0.002 . 89 15 15 VAL HA H 3.634 0.001 . 90 15 15 VAL HB H 1.673 0.008 . 91 15 15 VAL HG1 H 0.564 0.002 . 92 15 15 VAL HG2 H 0.427 0.006 . 93 16 16 PHE H H 8.478 0.002 . 94 16 16 PHE HA H 4.592 0.001 . 95 16 16 PHE HB2 H 3.137 0.002 . 96 16 16 PHE HB3 H 2.891 0.002 . 97 16 16 PHE HD1 H 7.225 0.012 . 98 16 16 PHE HD2 H 7.225 0.012 . 99 17 17 GLY H H 8.130 0.001 . 100 17 17 GLY HA2 H 4.059 0.001 . 101 17 17 GLY HA3 H 4.059 0.001 . 102 18 18 GLU H H 8.322 0.003 . 103 18 18 GLU HA H 4.322 0.004 . 104 18 18 GLU HB2 H 2.253 0.002 . 105 18 18 GLU HB3 H 2.194 0.001 . 106 18 18 GLU HG2 H 2.607 0.010 . 107 18 18 GLU HG3 H 2.571 0.010 . 108 19 19 ASN H H 8.131 0.003 . 109 19 19 ASN HA H 4.793 0.010 . 110 19 19 ASN HB2 H 2.973 0.010 . 111 19 19 ASN HB3 H 2.905 0.003 . 112 19 19 ASN HD21 H 7.498 0.001 . 113 19 19 ASN HD22 H 6.668 0.010 . 114 20 20 GLY H H 8.215 0.004 . 115 20 20 GLY HA2 H 4.003 0.003 . 116 20 20 GLY HA3 H 4.003 0.003 . 117 21 21 VAL H H 7.762 0.001 . 118 21 21 VAL HA H 3.923 0.002 . 119 21 21 VAL HB H 2.058 0.005 . 120 21 21 VAL HG1 H 0.946 0.002 . 121 21 21 VAL HG2 H 0.817 0.003 . 122 22 22 PHE H H 7.814 0.010 . 123 22 22 PHE HA H 4.476 0.010 . 124 22 22 PHE HB2 H 2.972 0.010 . 125 22 22 PHE HB3 H 2.972 0.010 . 126 22 22 PHE HD1 H 7.147 0.010 . 127 22 22 PHE HD2 H 7.147 0.010 . 128 23 23 PHE H H 7.706 0.015 . 129 23 23 PHE HA H 4.499 0.010 . 130 23 23 PHE HB2 H 3.134 0.010 . 131 23 23 PHE HB3 H 3.029 0.010 . 132 23 23 PHE HD1 H 7.164 0.010 . 133 23 23 PHE HD2 H 7.164 0.010 . 134 24 24 TYR H H 7.647 0.010 . 135 24 24 TYR HA H 4.370 0.001 . 136 24 24 TYR HB2 H 3.116 0.010 . 137 24 24 TYR HB3 H 3.064 0.010 . 138 24 24 TYR HD1 H 7.202 0.010 . 139 24 24 TYR HD2 H 7.202 0.010 . 140 25 25 LYS H H 7.795 0.001 . 141 25 25 LYS HA H 4.272 0.010 . 142 25 25 LYS HB2 H 1.932 0.010 . 143 25 25 LYS HB3 H 1.819 0.010 . 144 25 25 LYS HG2 H 1.502 0.010 . 145 25 25 LYS HG3 H 1.468 0.010 . 146 25 25 LYS HD2 H 1.761 0.010 . 147 25 25 LYS HD3 H 1.761 0.010 . 148 25 25 LYS HE2 H 3.048 0.010 . 149 25 25 LYS HE3 H 3.048 0.010 . stop_ save_