data_16122 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HCV NS4B(227-254) ; _BMRB_accession_number 16122 _BMRB_flat_file_name bmr16122.str _Entry_type original _Submission_date 2009-01-15 _Accession_date 2009-01-15 _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 Montserret Roland . . 2 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" 143 "13C chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'edit entity/assembly name' 2009-05-26 update BMRB 'complete entry citation' 2009-04-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_NS4B(227-254) _Saveframe_category entry_citation _Citation_full . _Citation_title 'Identification of a Novel Determinant for Membrane Association in Hepatitis C Virus Nonstructural Protein 4B' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19357161 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gouttenoire Jerome . . 2 Castet Valerie . . 3 Montserret Roland . . 4 Arora Naveen . . 5 Raussens Vincent . . 6 Ruysschaert Jean-Marie . . 7 Diesis Eric . . 8 Blum Hubert E. . 9 Penin Francois . . 10 Moradpour Darius . . stop_ _Journal_abbreviation 'J. Virol' _Journal_name_full 'Journal of virology' _Journal_volume 83 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6257 _Page_last 6268 _Year 2009 _Details . loop_ _Keyword '227-254 segment' HCV NS4B stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HCV NS4B(227-254)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HCV NS4B(227-254)' $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 'HCV NS4B(227-254)' _Molecular_mass 3111.629 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; SDAAARVTAILSSLTVTQLL RRLHQWIS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 ALA 4 ALA 5 ALA 6 ARG 7 VAL 8 THR 9 ALA 10 ILE 11 LEU 12 SER 13 SER 14 LEU 15 THR 16 VAL 17 THR 18 GLN 19 LEU 20 LEU 21 ARG 22 ARG 23 LEU 24 HIS 25 GLN 26 TRP 27 ILE 28 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2KDR "Solution Structure Of Hcv Ns4b(227-254)" 100.00 28 100.00 100.00 1.98e-08 GB AAA45534 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 2.33e-07 GB AAA45676 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 2.22e-07 GB AAA45677 "polyprotein, partial [Hepatitis C virus]" 100.00 2436 100.00 100.00 1.98e-07 GB AAB66324 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 2.26e-07 GB AAB67036 "polyprotein [Hepatitis C virus (isolate H77)]" 100.00 3011 100.00 100.00 2.26e-07 REF NP_671491 "polyprotein [Hepatitis C virus]" 100.00 3011 100.00 100.00 2.26e-07 REF NP_751926 "NS4B protein [Hepatitis C virus]" 100.00 261 100.00 100.00 3.92e-08 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 2.22e-07 SP P27958 "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 2.33e-07 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 'Hepatitis C' 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_type _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' H2O 50 % 'natural abundance' trifluoroethanol 50 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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 pH 6 . pH pressure 1 . atm temperature 298 . 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 protons' ppm 0.00 . indirect . . . 0.251449530 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' '2D 1H-13C HSQC' 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 'HCV NS4B(227-254)' _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 SER HA H 4.27 0.01 1 2 1 1 SER HB2 H 4.16 0.01 1 3 1 1 SER HB3 H 4.16 0.01 1 4 1 1 SER CA C 58.13 0.01 1 5 2 2 ASP H H 8.88 0.01 1 6 2 2 ASP HA H 4.89 0.01 1 7 2 2 ASP HB2 H 3.03 0.01 1 8 2 2 ASP HB3 H 3.03 0.01 1 9 2 2 ASP CA C 54.33 0.01 1 10 2 2 ASP CB C 38.96 0.01 1 11 3 3 ALA H H 8.37 0.01 1 12 3 3 ALA HA H 4.12 0.01 1 13 3 3 ALA HB H 1.49 0.01 1 14 3 3 ALA CA C 55.88 0.01 1 15 3 3 ALA CB C 18.94 0.01 1 16 4 4 ALA H H 8.02 0.01 1 17 4 4 ALA HA H 4.14 0.01 1 18 4 4 ALA HB H 1.50 0.01 1 19 4 4 ALA CA C 56.01 0.01 1 20 4 4 ALA CB C 18.64 0.01 1 21 5 5 ALA H H 7.80 0.01 1 22 5 5 ALA HA H 4.15 0.01 1 23 5 5 ALA HB H 1.56 0.01 1 24 5 5 ALA CA C 56.34 0.01 1 25 5 5 ALA CB C 18.77 0.01 1 26 6 6 ARG H H 7.74 0.01 1 27 6 6 ARG HA H 4.15 0.01 1 28 6 6 ARG HB2 H 2.02 0.01 1 29 6 6 ARG HB3 H 2.02 0.01 1 30 6 6 ARG HD2 H 3.23 0.01 1 31 6 6 ARG HD3 H 3.23 0.01 1 32 6 6 ARG HE H 7.11 0.01 1 33 6 6 ARG HG2 H 1.82 0.01 2 34 6 6 ARG HG3 H 1.71 0.01 2 35 6 6 ARG CA C 60.24 0.01 1 36 6 6 ARG CB C 30.85 0.01 1 37 6 6 ARG CD C 44.18 0.01 1 38 6 6 ARG CG C 28.39 0.01 1 39 7 7 VAL H H 8.22 0.01 1 40 7 7 VAL HA H 3.70 0.01 1 41 7 7 VAL HB H 2.17 0.01 1 42 7 7 VAL HG1 H 1.11 0.01 2 43 7 7 VAL HG2 H 1.01 0.01 2 44 7 7 VAL CA C 67.98 0.01 1 45 7 7 VAL CB C 32.82 0.01 1 46 7 7 VAL CG1 C 21.43 0.01 2 47 7 7 VAL CG2 C 22.90 0.01 2 48 8 8 THR H H 8.09 0.01 1 49 8 8 THR HA H 3.94 0.01 1 50 8 8 THR HB H 4.33 0.01 1 51 8 8 THR HG2 H 1.31 0.01 1 52 8 8 THR CA C 68.08 0.01 1 53 8 8 THR CB C 69.77 0.01 1 54 8 8 THR CG2 C 21.76 0.01 1 55 9 9 ALA H H 8.07 0.01 1 56 9 9 ALA HA H 4.16 0.01 1 57 9 9 ALA HB H 1.64 0.01 1 58 9 9 ALA CA C 56.88 0.01 1 59 9 9 ALA CB C 18.54 0.01 1 60 10 10 ILE H H 8.25 0.01 1 61 10 10 ILE HA H 3.74 0.01 1 62 10 10 ILE HB H 2.06 0.01 1 63 10 10 ILE HD1 H 0.90 0.01 1 64 10 10 ILE HG12 H 1.91 0.01 2 65 10 10 ILE HG13 H 1.17 0.01 2 66 10 10 ILE HG2 H 0.97 0.01 1 67 10 10 ILE CA C 66.59 0.01 1 68 10 10 ILE CB C 39.23 0.01 1 69 10 10 ILE CD1 C 13.55 0.01 1 70 10 10 ILE CG1 C 29.67 0.01 1 71 10 10 ILE CG2 C 17.21 0.01 1 72 11 11 LEU H H 8.85 0.01 1 73 11 11 LEU HA H 4.18 0.01 1 74 11 11 LEU HB2 H 1.95 0.01 2 75 11 11 LEU HB3 H 1.55 0.01 2 76 11 11 LEU CA C 59.38 0.01 1 77 11 11 LEU CB C 42.46 0.01 1 78 12 12 SER H H 8.69 0.01 1 79 12 12 SER HA H 4.26 0.01 1 80 12 12 SER CA C 63.61 0.01 1 81 13 13 SER H H 8.01 0.01 1 82 13 13 SER HA H 4.31 0.01 1 83 13 13 SER CA C 63.36 0.01 1 84 14 14 LEU H H 8.67 0.01 1 85 14 14 LEU HA H 4.15 0.01 1 86 14 14 LEU HB2 H 2.01 0.01 2 87 14 14 LEU HB3 H 1.64 0.01 2 88 14 14 LEU CA C 59.38 0.01 1 89 14 14 LEU CB C 43.03 0.01 1 90 15 15 THR H H 8.10 0.01 1 91 15 15 THR HA H 3.96 0.01 1 92 15 15 THR HB H 4.49 0.01 1 93 15 15 THR HG2 H 1.30 0.01 1 94 15 15 THR CA C 68.38 0.01 1 95 15 15 THR CB C 69.88 0.01 1 96 15 15 THR CG2 C 21.19 0.01 1 97 16 16 VAL H H 8.41 0.01 1 98 16 16 VAL HA H 3.75 0.01 1 99 16 16 VAL HB H 2.22 0.01 1 100 16 16 VAL HG1 H 1.15 0.01 2 101 16 16 VAL HG2 H 1.05 0.01 2 102 16 16 VAL CA C 68.19 0.01 1 103 16 16 VAL CB C 32.82 0.01 1 104 16 16 VAL CG1 C 23.25 0.01 2 105 16 16 VAL CG2 C 21.56 0.01 2 106 17 17 THR H H 8.05 0.01 1 107 17 17 THR HA H 3.95 0.01 1 108 17 17 THR HB H 4.37 0.01 1 109 17 17 THR HG2 H 1.34 0.01 1 110 17 17 THR CA C 68.28 0.01 1 111 17 17 THR CB C 69.88 0.01 1 112 17 17 THR CG2 C 21.83 0.01 1 113 18 18 GLN H H 7.92 0.01 1 114 18 18 GLN HA H 4.12 0.01 1 115 18 18 GLN HB2 H 2.38 0.01 2 116 18 18 GLN HB3 H 2.23 0.01 2 117 18 18 GLN HE21 H 7.04 0.01 2 118 18 18 GLN HE22 H 6.59 0.01 2 119 18 18 GLN HG2 H 2.61 0.01 2 120 18 18 GLN HG3 H 2.51 0.01 2 121 18 18 GLN CA C 59.46 0.01 1 122 18 18 GLN CB C 29.47 0.01 1 123 18 18 GLN CG C 35.07 0.01 1 124 19 19 LEU H H 8.21 0.01 1 125 19 19 LEU HA H 4.16 0.01 1 126 19 19 LEU HB2 H 1.89 0.01 1 127 19 19 LEU HB3 H 1.89 0.01 1 128 19 19 LEU HG H 1.78 0.01 1 129 19 19 LEU CA C 59.40 0.01 1 130 19 19 LEU CB C 42.60 0.01 1 131 19 19 LEU CG C 27.85 0.01 1 132 20 20 LEU H H 8.69 0.01 1 133 20 20 LEU HA H 4.17 0.01 1 134 20 20 LEU HB2 H 2.04 0.01 2 135 20 20 LEU HB3 H 1.50 0.01 2 136 20 20 LEU CA C 59.43 0.01 1 137 20 20 LEU CB C 42.57 0.01 1 138 21 21 ARG H H 8.21 0.01 1 139 21 21 ARG HA H 4.10 0.01 1 140 21 21 ARG HB2 H 2.05 0.01 1 141 21 21 ARG HB3 H 2.05 0.01 1 142 21 21 ARG HD2 H 3.21 0.01 1 143 21 21 ARG HD3 H 3.21 0.01 1 144 21 21 ARG HE H 7.14 0.01 1 145 21 21 ARG HG2 H 2.00 0.01 2 146 21 21 ARG HG3 H 1.69 0.01 2 147 21 21 ARG CA C 61.00 0.01 1 148 21 21 ARG CB C 30.65 0.01 1 149 21 21 ARG CD C 44.29 0.01 1 150 21 21 ARG CG C 28.65 0.01 1 151 22 22 ARG H H 8.11 0.01 1 152 22 22 ARG HA H 4.15 0.01 1 153 22 22 ARG HB2 H 2.04 0.01 2 154 22 22 ARG HB3 H 2.02 0.01 2 155 22 22 ARG HD2 H 3.21 0.01 1 156 22 22 ARG HD3 H 3.21 0.01 1 157 22 22 ARG HE H 7.15 0.01 1 158 22 22 ARG HG2 H 1.87 0.01 2 159 22 22 ARG HG3 H 1.68 0.01 2 160 22 22 ARG CA C 60.24 0.01 1 161 22 22 ARG CB C 30.70 0.01 1 162 22 22 ARG CD C 44.28 0.01 1 163 22 22 ARG CG C 28.32 0.01 1 164 23 23 LEU H H 8.72 0.01 1 165 23 23 LEU HA H 4.29 0.01 1 166 23 23 LEU HB2 H 1.90 0.01 2 167 23 23 LEU HB3 H 1.77 0.01 2 168 23 23 LEU HD1 H 0.94 0.01 2 169 23 23 LEU HD2 H 0.94 0.01 2 170 23 23 LEU CA C 59.06 0.01 1 171 23 23 LEU CB C 42.90 0.01 1 172 24 24 HIS H H 8.46 0.01 1 173 24 24 HIS HA H 4.34 0.01 1 174 24 24 HIS HB2 H 3.42 0.01 1 175 24 24 HIS HB3 H 3.42 0.01 1 176 24 24 HIS HD2 H 7.32 0.01 1 177 24 24 HIS HE1 H 8.51 0.01 1 178 24 24 HIS CA C 60.06 0.01 1 179 24 24 HIS CB C 28.86 0.01 1 180 24 24 HIS CD2 C 120.78 0.01 1 181 24 24 HIS CE1 C 136.74 0.01 1 182 25 25 GLN H H 8.22 0.01 1 183 25 25 GLN HA H 4.09 0.01 1 184 25 25 GLN HB2 H 2.31 0.01 2 185 25 25 GLN HB3 H 2.26 0.01 2 186 25 25 GLN HG2 H 2.51 0.01 2 187 25 25 GLN HG3 H 2.42 0.01 2 188 25 25 GLN CA C 59.51 0.01 1 189 25 25 GLN CB C 29.43 0.01 1 190 25 25 GLN CG C 34.65 0.01 1 191 26 26 TRP H H 8.34 0.01 1 192 26 26 TRP HA H 4.57 0.01 1 193 26 26 TRP HB2 H 3.53 0.01 2 194 26 26 TRP HB3 H 3.44 0.01 2 195 26 26 TRP HD1 H 7.21 0.01 1 196 26 26 TRP HE1 H 9.71 0.01 1 197 26 26 TRP HE3 H 7.66 0.01 1 198 26 26 TRP HH2 H 7.22 0.01 1 199 26 26 TRP HZ2 H 7.46 0.01 1 200 26 26 TRP HZ3 H 7.14 0.01 1 201 26 26 TRP CA C 60.51 0.01 1 202 26 26 TRP CB C 30.21 0.01 1 203 26 26 TRP CD1 C 127.13 0.01 1 204 26 26 TRP CE3 C 121.61 0.01 1 205 26 26 TRP CH2 C 125.38 0.01 1 206 26 26 TRP CZ2 C 115.17 0.01 1 207 26 26 TRP CZ3 C 122.67 0.01 1 208 27 27 ILE H H 8.27 0.01 1 209 27 27 ILE HA H 3.88 0.01 1 210 27 27 ILE HB H 1.92 0.01 1 211 27 27 ILE HD1 H 0.88 0.01 1 212 27 27 ILE HG12 H 1.65 0.01 2 213 27 27 ILE HG13 H 1.29 0.01 2 214 27 27 ILE HG2 H 0.96 0.01 1 215 27 27 ILE CA C 64.20 0.01 1 216 27 27 ILE CB C 39.54 0.01 1 217 27 27 ILE CD1 C 13.59 0.01 1 218 27 27 ILE CG1 C 28.91 0.01 1 219 27 27 ILE CG2 C 17.81 0.01 1 220 28 28 SER H H 7.72 0.01 1 221 28 28 SER HA H 4.32 0.01 1 222 28 28 SER HB2 H 3.92 0.01 2 223 28 28 SER HB3 H 3.82 0.01 2 224 28 28 SER CA C 60.23 0.01 1 225 28 28 SER CB C 64.92 0.01 1 stop_ save_