data_20026 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mutagenesis and nuclear magnetic resonance analyses of the fusion peptide of Helicoverpa armigera single nucleocapsid nucleopolyhedrovirus F protein ; _BMRB_accession_number 20026 _BMRB_flat_file_name bmr20026.str _Entry_type new _Submission_date 2008-06-26 _Accession_date 2008-06-26 _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 Tan Y. . . 2 Jiang L. . . 3 Wang M.L. . . 4 Yin F.F. . . 5 Deng F. . . 6 Liu M.L. . . 7 Hu Z.H. . . 8 Wang H.L. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit entity/assembly name' 2008-09-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mutagenesis and nuclear magnetic resonance analyses of the fusion peptide of Helicoverpa armigera single nucleocapsid nucleopolyhedrovirus F protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18524820 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tan Y. . . 2 Jiang L. . . 3 Wang M.L. . . 4 Yin F.F. . . 5 Deng F. . . 6 Liu M.L. . . 7 Hu Z.H. . . 8 Wang H.L. . . stop_ _Journal_abbreviation 'J. Virol.' _Journal_volume 82 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8138 _Page_last 8148 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'F protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'F protein' $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 'F protein' _Molecular_mass 2144.487 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence NIGLNFVGSVDKFLFGVMDA loop_ _Residue_seq_code _Residue_label 1 ASN 2 ILE 3 GLY 4 LEU 5 ASN 6 PHE 7 VAL 8 GLY 9 SER 10 VAL 11 ASP 12 LYS 13 PHE 14 LEU 15 PHE 16 GLY 17 VAL 18 MET 19 ASP 20 ALA 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 DBJ BAG74706 "copia-like envelope protein [Helicoverpa armigera NPV NNg1]" 100.00 677 100.00 100.00 5.17e-04 GB AAG53876 "unknown [Helicoverpa armigera nucleopolyhedrovirus G4]" 100.00 677 100.00 100.00 5.27e-04 GB AAK96377 "envelope protein [Helicoverpa armigera nucleopolyhedrovirus]" 100.00 677 100.00 100.00 5.17e-04 GB AAL56143 "ORF137 [Helicoverpa zea single nucleopolyhedrovirus]" 100.00 677 100.00 100.00 5.27e-04 GB ABI35801 "fusion protein [Ectropis obliqua nucleopolyhedrovirus]" 80.00 676 100.00 100.00 1.01e+00 GB AEN04056 "hypothetical protein [Helicoverpa armigera NPV strain Australia]" 100.00 677 100.00 100.00 5.37e-04 REF NP_075202 "hypothetical protein HanGV4gp134 [Helicoverpa armigera nucleopolyhedrovirus G4]" 100.00 677 100.00 100.00 5.27e-04 REF NP_203690 "envelope protein [Helicoverpa armigera nucleopolyhedrovirus]" 100.00 677 100.00 100.00 5.17e-04 REF NP_542760 "ORF137 [Helicoverpa zea single nucleopolyhedrovirus]" 100.00 677 100.00 100.00 5.27e-04 REF YP_002274064 "copia-like envelope protein [Helicoverpa armigera NPV NNg1]" 100.00 677 100.00 100.00 5.17e-04 REF YP_009051827 "ORF136 [Helicoverpa SNPV AC53]" 100.00 677 100.00 100.00 5.27e-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 $entity . . . . . . 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 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' SDS 200 mM '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . pH pressure 1 . atm temperature 300 . 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 $XEASY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' 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 'F protein' _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 ASN HA H 4.469 0.020 1 2 1 1 ASN HB2 H 2.996 0.020 2 3 1 1 ASN HB3 H 3.058 0.020 2 4 1 1 ASN HD21 H 6.901 0.020 2 5 1 1 ASN HD22 H 7.653 0.020 2 6 2 2 ILE H H 8.520 0.020 1 7 2 2 ILE HA H 4.191 0.020 1 8 2 2 ILE HB H 1.949 0.020 1 9 2 2 ILE HD1 H 0.906 0.020 1 10 2 2 ILE HG12 H 1.263 0.020 2 11 2 2 ILE HG13 H 1.580 0.020 2 12 2 2 ILE HG2 H 0.970 0.020 1 13 3 3 GLY H H 8.167 0.020 1 14 3 3 GLY HA2 H 3.943 0.020 2 15 3 3 GLY HA3 H 3.943 0.020 2 16 4 4 LEU H H 7.709 0.020 1 17 4 4 LEU HA H 4.269 0.020 1 18 4 4 LEU HB2 H 1.508 0.020 2 19 4 4 LEU HB3 H 1.635 0.020 2 20 4 4 LEU HD1 H 0.896 0.020 2 21 4 4 LEU HD2 H 0.938 0.020 2 22 5 5 ASN H H 8.363 0.020 1 23 5 5 ASN HA H 4.603 0.020 1 24 5 5 ASN HB2 H 2.883 0.020 2 25 5 5 ASN HB3 H 2.824 0.020 2 26 5 5 ASN HD21 H 6.872 0.020 2 27 5 5 ASN HD22 H 7.554 0.020 2 28 6 6 PHE H H 8.099 0.020 1 29 6 6 PHE HA H 4.457 0.020 1 30 6 6 PHE HB2 H 3.179 0.020 2 31 6 6 PHE HB3 H 3.232 0.020 2 32 6 6 PHE HD1 H 7.222 0.020 1 33 6 6 PHE HD2 H 7.222 0.020 1 34 6 6 PHE HE1 H 7.115 0.020 1 35 6 6 PHE HE2 H 7.115 0.020 1 36 7 7 VAL H H 7.840 0.020 1 37 7 7 VAL HA H 3.514 0.020 1 38 7 7 VAL HB H 2.103 0.020 1 39 7 7 VAL HG1 H 0.945 0.020 2 40 7 7 VAL HG2 H 0.979 0.020 2 41 8 8 GLY H H 8.148 0.020 1 42 8 8 GLY HA2 H 3.985 0.020 2 43 8 8 GLY HA3 H 3.985 0.020 2 44 9 9 SER H H 7.939 0.020 1 45 9 9 SER HA H 4.364 0.020 1 46 9 9 SER HB2 H 3.902 0.020 2 47 9 9 SER HB3 H 4.016 0.020 2 48 10 10 VAL H H 8.089 0.020 1 49 10 10 VAL HA H 3.719 0.020 1 50 10 10 VAL HB H 2.189 0.020 1 51 10 10 VAL HG1 H 0.946 0.020 2 52 10 10 VAL HG2 H 0.880 0.020 2 53 11 11 ASP H H 8.527 0.020 1 54 11 11 ASP HA H 4.315 0.020 1 55 11 11 ASP HB2 H 2.904 0.020 2 56 11 11 ASP HB3 H 2.904 0.020 2 57 12 12 LYS H H 7.851 0.020 1 58 12 12 LYS HA H 4.037 0.020 1 59 12 12 LYS HB2 H 1.898 0.020 2 60 12 12 LYS HB3 H 1.898 0.020 2 61 12 12 LYS HD2 H 1.658 0.020 2 62 12 12 LYS HD3 H 1.658 0.020 2 63 12 12 LYS HE2 H 2.948 0.020 2 64 12 12 LYS HE3 H 2.948 0.020 2 65 12 12 LYS HG2 H 1.380 0.020 2 66 12 12 LYS HG3 H 1.487 0.020 2 67 12 12 LYS HZ H 7.433 0.020 1 68 13 13 PHE H H 7.922 0.020 1 69 13 13 PHE HA H 4.366 0.020 1 70 13 13 PHE HB2 H 3.180 0.020 2 71 13 13 PHE HB3 H 3.219 0.020 2 72 13 13 PHE HD1 H 7.198 0.020 1 73 13 13 PHE HD2 H 7.198 0.020 1 74 13 13 PHE HE1 H 7.105 0.020 1 75 13 13 PHE HE2 H 7.105 0.020 1 76 14 14 LEU H H 8.414 0.020 1 77 14 14 LEU HA H 3.908 0.020 1 78 14 14 LEU HB2 H 1.290 0.020 2 79 14 14 LEU HB3 H 1.673 0.020 2 80 14 14 LEU HD1 H 0.836 0.020 2 81 14 14 LEU HD2 H 0.859 0.020 2 82 14 14 LEU HG H 1.761 0.020 1 83 15 15 PHE H H 8.173 0.020 1 84 15 15 PHE HA H 4.390 0.020 1 85 15 15 PHE HB2 H 3.193 0.020 2 86 15 15 PHE HB3 H 3.092 0.020 2 87 15 15 PHE HD1 H 7.301 0.020 1 88 15 15 PHE HD2 H 7.301 0.020 1 89 16 16 GLY H H 7.850 0.020 1 90 16 16 GLY HA2 H 3.942 0.020 2 91 16 16 GLY HA3 H 3.942 0.020 2 92 17 17 VAL H H 7.624 0.020 1 93 17 17 VAL HA H 3.936 0.020 1 94 17 17 VAL HB H 2.032 0.020 1 95 17 17 VAL HG1 H 0.850 0.020 2 96 17 17 VAL HG2 H 0.826 0.020 2 97 18 18 MET H H 7.887 0.020 1 98 18 18 MET HA H 4.322 0.020 1 99 18 18 MET HB2 H 1.998 0.020 2 100 18 18 MET HB3 H 2.088 0.020 2 101 18 18 MET HG2 H 2.419 0.020 2 102 18 18 MET HG3 H 2.527 0.020 2 103 19 19 ASP H H 7.901 0.020 1 104 19 19 ASP HA H 4.665 0.020 1 105 19 19 ASP HB2 H 2.694 0.020 2 106 19 19 ASP HB3 H 2.902 0.020 2 107 20 20 ALA H H 7.750 0.020 1 108 20 20 ALA HA H 4.245 0.020 1 109 20 20 ALA HB H 1.349 0.020 1 stop_ save_ save_constraint_statistics _Saveframe_category constraint_statistics _Text_data_format . _Text_data . _NOE_interproton_distance_evaluation . _NOE_pseudoatom_corrections . _Details . save_ save_representative_conformer _Saveframe_category representative_structure _Details . _Rep_structure_derivation . _Rep_structure_file_name . _Structure_coordinate_set_label $conformer_family_coord_set _Rep_struction_original_file . save_