data_4699 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The transmembrane domains of hepatitis C virus envelope glycoproteins E1 and E2 play a major role in heterodimerisation ; _BMRB_accession_number 4699 _BMRB_flat_file_name bmr4699.str _Entry_type original _Submission_date 2000-03-24 _Accession_date 2000-03-24 _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 'Op De Beeck' Anne . . 2 Montserret Roland . . 3 Duvet Sandrine . . 4 Cocquerel Laurence . . 5 Cacan Rene . . 6 Barberot Benoit . . 7 'Le Maire' Marc . . 8 Penin Francois . . 9 Dubuisson Jean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-29 original author . stop_ _Original_release_date 2000-03-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The transmembrane domains of hepatitis C virus envelope glycoproteins E1 and E2 play a major role in heterodimerisation ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Op De Beeck' Anne . . 2 Montserret Roland . . 3 Duvet Sandrine . . 4 Cocquerel Laurence . . 5 Cacan Rene . . 6 Barberot Benoit . . 7 'Le Maire' Marc . . 8 Penin Francois . . 9 Dubuisson Jean . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword '3D structure' 'hepatitis C virus' heterodimerisation 'transmembrane domains' 'viral envelope proteins' stop_ save_ ################################## # Molecular system description # ################################## save_system_E(350-370) _Saveframe_category molecular_system _Mol_system_name 'HCV TME1' _Abbreviation_common 'HCV TME1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label E(350-370) $E(350-370) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_E(350-370) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HCV TME1' _Abbreviation_common E(350-370) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 21 _Mol_residue_sequence ; GAHWGVLAGIAYFSMVGNWA K ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 HIS 4 TRP 5 GLY 6 VAL 7 LEU 8 ALA 9 GLY 10 ILE 11 ALA 12 TYR 13 PHE 14 SER 15 MET 16 VAL 17 GLY 18 ASN 19 TRP 20 ALA 21 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 1EMZ "Solution Structure Of Fragment (350-370) Of The Transmembrane Domain Of Hepatitis C Envelope Glycoprotein E1" 100.00 21 100.00 100.00 1.04e-04 DBJ BAA00705 "structural protein, partial [Hepatitis C virus]" 100.00 513 100.00 100.00 1.37e-04 DBJ BAA01582 "polyprotein precursor [Hepatitis C virus]" 100.00 3011 100.00 100.00 4.28e-05 DBJ BAA14118 "X protein, partial [Hepatitis C virus]" 100.00 129 100.00 100.00 7.02e-05 DBJ BAC41268 "polyprotein, partial [Hepatitis C virus]" 100.00 491 100.00 100.00 2.79e-04 DBJ BAC41269 "polyprotein, partial [Hepatitis C virus]" 100.00 491 100.00 100.00 2.74e-04 EMBL CAA12472 "glycoprotein, partial [Hepatitis C virus]" 100.00 84 100.00 100.00 2.67e-05 EMBL CAA12473 "glycoprotein, partial [Hepatitis C virus]" 100.00 84 100.00 100.00 2.98e-05 EMBL CAA12474 "glycoprotein, partial [Hepatitis C virus]" 100.00 84 100.00 100.00 2.67e-05 EMBL CAA12477 "glycoprotein, partial [Hepatitis C virus]" 100.00 84 100.00 100.00 2.56e-05 EMBL CAA12481 "glycoprotein, partial [Hepatitis C virus]" 100.00 84 100.00 100.00 2.95e-05 GB AAA45545 "envelope protein E1, partial [Hepatitis C virus]" 100.00 192 100.00 100.00 9.57e-05 GB AAA45558 "envelope protein E1, partial [Hepatitis C virus]" 100.00 192 100.00 100.00 5.83e-05 GB AAA45563 "envelope protein E1, partial [Hepatitis C virus]" 100.00 192 100.00 100.00 1.41e-04 GB AAA45569 "envelope protein E1, partial [Hepatitis C virus]" 100.00 192 100.00 100.00 1.27e-04 GB AAA45570 "envelope protein E1, partial [Hepatitis C virus]" 100.00 192 100.00 100.00 5.83e-05 PRF 1812304B "nonstructural protein E2 [Hepatitis C virus]" 100.00 403 100.00 100.00 3.46e-04 REF NP_671491 "polyprotein [Hepatitis C virus]" 100.00 3011 100.00 100.00 4.32e-05 REF NP_751920 "E1 protein [Hepatitis C virus]" 100.00 192 100.00 100.00 1.09e-04 SP P26664 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3011 100.00 100.00 4.01e-05 SP P27953 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Envelope glycoprotein E1; AltName: Full=gp32; AltName: Full=gp35; Con" 100.00 138 100.00 100.00 5.30e-05 SP P27955 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 309 100.00 100.00 1.36e-04 SP P27956 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 321 100.00 100.00 1.78e-04 SP P27957 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 321 100.00 100.00 1.56e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $E(350-370) . 11102 viruses . Hepacivirus flaviviridae 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 $E(350-370) 'chemical synthesis' . . . . . 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 $E(350-370) 4.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_vnmr _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task 'data collection and processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_DQF_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'DQF COSY' _Sample_label $sample_1 save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 0.2 pH temperature 293 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . $entry_citation $entry_citation 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name E(350-370) _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 GLY HA2 H 3.84 0.01 1 2 . 1 GLY HA3 H 3.84 0.01 1 3 . 2 ALA H H 8.43 0.01 1 4 . 2 ALA HA H 4.24 0.01 1 5 . 2 ALA HB H 1.21 0.01 1 6 . 3 HIS H H 8.34 0.01 1 7 . 3 HIS HA H 4.78 0.01 1 8 . 3 HIS HB2 H 3.25 0.01 1 9 . 3 HIS HB3 H 3.16 0.01 1 10 . 3 HIS HE2 H 7.22 0.01 1 11 . 4 TRP H H 7.97 0.01 1 12 . 4 TRP HA H 4.64 0.01 1 13 . 4 TRP HB2 H 3.37 0.01 1 14 . 4 TRP HB3 H 3.29 0.01 1 15 . 4 TRP HD1 H 7.27 0.01 1 16 . 4 TRP HE1 H 9.92 0.01 1 17 . 4 TRP HE3 H 7.60 0.01 1 18 . 4 TRP HZ2 H 7.48 0.01 1 19 . 4 TRP HZ3 H 7.14 0.01 1 20 . 4 TRP HH2 H 7.22 0.01 1 21 . 5 GLY H H 8.20 0.01 1 22 . 5 GLY HA2 H 3.94 0.01 1 23 . 5 GLY HA3 H 3.88 0.01 1 24 . 6 VAL H H 7.71 0.01 1 25 . 6 VAL HA H 3.96 0.01 1 26 . 6 VAL HB H 2.13 0.01 1 27 . 6 VAL HG1 H 1.05 0.01 1 28 . 6 VAL HG2 H 1.01 0.01 1 29 . 7 LEU H H 7.69 0.01 1 30 . 7 LEU HA H 4.24 0.01 1 31 . 7 LEU HB2 H 1.79 0.01 1 32 . 7 LEU HB3 H 1.70 0.01 1 33 . 7 LEU HG H 1.77 0.01 1 34 . 7 LEU HD1 H 0.97 0.01 1 35 . 7 LEU HD2 H 0.94 0.01 1 36 . 8 ALA H H 7.88 0.01 1 37 . 8 ALA HA H 4.12 0.01 1 38 . 8 ALA HB H 1.41 0.01 1 39 . 9 GLY H H 7.94 0.01 1 40 . 9 GLY HA2 H 3.94 0.01 1 41 . 9 GLY HA3 H 3.94 0.01 1 42 . 10 ILE H H 8.01 0.01 1 43 . 10 ILE HA H 3.97 0.01 1 44 . 10 ILE HB H 2.04 0.01 1 45 . 10 ILE HG12 H 1.80 0.01 1 46 . 10 ILE HG13 H 1.26 0.01 1 47 . 10 ILE HG2 H 1.00 0.01 1 48 . 10 ILE HD1 H 0.93 0.01 1 49 . 11 ALA H H 8.37 0.01 1 50 . 11 ALA HA H 4.10 0.01 1 51 . 11 ALA HB H 1.50 0.01 1 52 . 12 TYR H H 8.12 0.01 1 53 . 12 TYR HA H 4.21 0.01 1 54 . 12 TYR HB2 H 3.10 0.01 1 55 . 12 TYR HB3 H 3.00 0.01 1 56 . 12 TYR HD1 H 6.73 0.01 1 57 . 12 TYR HD2 H 6.73 0.01 1 58 . 12 TYR HE1 H 6.66 0.01 1 59 . 12 TYR HE2 H 6.66 0.01 1 60 . 13 PHE H H 8.47 0.01 1 61 . 13 PHE HA H 4.24 0.01 1 62 . 13 PHE HB2 H 3.23 0.01 1 63 . 13 PHE HB3 H 3.16 0.01 1 64 . 13 PHE HD1 H 7.35 0.01 1 65 . 13 PHE HD2 H 7.35 0.01 1 66 . 13 PHE HE1 H 7.38 0.01 1 67 . 13 PHE HE2 H 7.38 0.01 1 68 . 14 SER H H 8.40 0.01 1 69 . 14 SER HA H 4.24 0.01 1 70 . 14 SER HB2 H 4.10 0.01 1 71 . 14 SER HB3 H 3.97 0.01 1 72 . 15 MET H H 7.85 0.01 1 73 . 15 MET HA H 4.33 0.01 1 74 . 15 MET HB2 H 2.16 0.01 1 75 . 15 MET HB3 H 2.09 0.01 1 76 . 15 MET HG2 H 2.64 0.01 1 77 . 15 MET HG3 H 2.48 0.01 1 78 . 15 MET HE H 2.06 0.01 1 79 . 16 VAL H H 7.98 0.01 1 80 . 16 VAL HA H 3.73 0.01 1 81 . 16 VAL HB H 1.96 0.01 1 82 . 16 VAL HG1 H 0.87 0.01 1 83 . 16 VAL HG2 H 0.74 0.01 1 84 . 17 GLY H H 8.07 0.01 1 85 . 17 GLY HA2 H 3.82 0.01 1 86 . 17 GLY HA3 H 3.78 0.01 1 87 . 18 ASN H H 7.85 0.01 1 88 . 18 ASN HA H 4.64 0.01 1 89 . 18 ASN HB2 H 2.78 0.01 1 90 . 18 ASN HB3 H 2.78 0.01 1 91 . 18 ASN HD21 H 7.37 0.01 1 92 . 18 ASN HD22 H 6.75 0.01 1 93 . 19 TRP H H 8.02 0.01 1 94 . 19 TRP HA H 4.56 0.01 1 95 . 19 TRP HB2 H 3.42 0.01 1 96 . 19 TRP HB3 H 3.42 0.01 1 97 . 19 TRP HD1 H 7.24 0.01 1 98 . 19 TRP HE1 H 9.82 0.01 1 99 . 19 TRP HE3 H 7.64 0.01 1 100 . 19 TRP HZ2 H 7.47 0.01 1 101 . 19 TRP HZ3 H 7.15 0.01 1 102 . 19 TRP HH2 H 7.22 0.01 1 103 . 20 ALA H H 8.16 0.01 1 104 . 20 ALA HA H 4.12 0.01 1 105 . 20 ALA HB H 1.38 0.01 1 106 . 21 LYS H H 7.66 0.01 1 107 . 21 LYS HA H 4.25 0.01 1 108 . 21 LYS HB2 H 1.94 0.01 1 109 . 21 LYS HB3 H 1.87 0.01 1 110 . 21 LYS HG2 H 1.58 0.01 1 111 . 21 LYS HG3 H 1.49 0.01 1 112 . 21 LYS HD2 H 1.74 0.01 1 113 . 21 LYS HD3 H 1.74 0.01 1 114 . 21 LYS HE2 H 3.03 0.01 1 115 . 21 LYS HE3 H 3.03 0.01 1 116 . 21 LYS HZ H 7.58 0.01 1 stop_ save_