data_18803 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SR-linker peptide ; _BMRB_accession_number 18803 _BMRB_flat_file_name bmr18803.str _Entry_type original _Submission_date 2012-10-22 _Accession_date 2012-10-22 _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 Keane Sarah C. . 2 Giedroc David P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 27 "13C chemical shifts" 60 "15N chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-28 update BMRB 'update entry citation' 2013-01-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Mouse Hepatitis Virus (MHV) nsp3a and Determinants of the Interaction with MHV Nucleocapsid (N) Protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23302895 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Keane Sarah C. . 2 Giedroc David P. . stop_ _Journal_abbreviation 'J. Virol.' _Journal_name_full 'Journal of virology' _Journal_volume 87 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3502 _Page_last 3515 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MHV N-linker peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MHV n-linker peptide' $SR-linker_peptide stop_ _System_molecular_weight 3651 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SR-linker_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SR-linker_peptide _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 34 _Mol_residue_sequence ; CAPASRSGSRSQSRGPNNRA RSSSNQRQPASTYK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 197 CYS 2 198 ALA 3 199 PRO 4 200 ALA 5 201 SER 6 202 ARG 7 203 SER 8 204 GLY 9 205 SER 10 206 ARG 11 207 SER 12 208 GLN 13 209 SER 14 210 ARG 15 211 GLY 16 212 PRO 17 213 ASN 18 214 ASN 19 215 ARG 20 216 ALA 21 217 ARG 22 218 SER 23 219 SER 24 220 SER 25 221 ASN 26 222 GLN 27 223 ARG 28 224 GLN 29 225 PRO 30 226 ALA 31 227 SER 32 228 THR 33 229 TYR 34 230 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 BAA01591 "nucleocapsid protein [Rat sialodacryoadenitis coronavirus]" 97.06 454 96.97 96.97 7.97e-09 DBJ BAJ04701 "nucleocapsid protein [Murine hepatitis virus]" 97.06 455 96.97 96.97 7.04e-09 EMBL CAA25198 "nucleocapsid protein [Murine hepatitis virus]" 97.06 454 96.97 96.97 7.74e-09 GB AAA46439 "hepatitis virus nucleocapsid (N-MHV1) ORF 1 [Murine hepatitis virus]" 97.06 455 96.97 96.97 7.04e-09 GB AAA46444 "hepatitis virus nucleocapsid (N-MHV3) ORF 1 [Murine hepatitis virus]" 97.06 454 96.97 96.97 7.89e-09 GB AAA46447 "hepatitis virus nucleocapsid (N-MHVA59) ORF 1 [Murine hepatitis virus]" 97.06 454 96.97 96.97 7.74e-09 GB AAA46462 "nucleocapsid protein [Murine hepatitis virus]" 97.06 425 96.97 96.97 7.36e-09 GB AAA46468 "hepatitis virus nucleocapsid (N-MHVS) ORF 1 [Murine hepatitis virus]" 97.06 454 96.97 96.97 6.49e-09 REF NP_045302 "nucleocapsid protein [Murine hepatitis virus strain A59]" 97.06 454 96.97 96.97 7.74e-09 REF YP_003029852 "nucleocapsid protein [Rat coronavirus Parker]" 97.06 454 96.97 96.97 7.52e-09 SP P03416 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 97.06 454 96.97 96.97 7.74e-09 SP P18446 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 97.06 455 96.97 96.97 7.04e-09 SP P18447 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 97.06 454 96.97 96.97 7.89e-09 SP P18448 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 97.06 454 96.97 96.97 6.49e-09 SP Q02915 "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" 97.06 454 96.97 96.97 7.97e-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 _Strain $SR-linker_peptide 'Murine Hepatitis Virus' 11142 Viruses . Betacoronavirus 'Murine coronavirus' A59 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 $SR-linker_peptide 'recombinant technology' . Escherichia coli . pET15b 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 $SR-linker_peptide 1.8 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' TCEP 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' 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-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_BEST_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'BEST 3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_BEST_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'BEST 3D HNCACB' _Sample_label $sample_1 save_ save_BEST_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'BEST 3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_BEST_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'BEST 3D HNCA' _Sample_label $sample_1 save_ save_BEST_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'BEST 3D HNCO' _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' 150 . mM pH 6.0 . 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 C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 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_ _Experiment_label '2D 1H-15N HSQC' 'BEST 3D HNCACB' '3D HBHA(CO)NH' 'BEST 3D CBCA(CO)NH' 'BEST 3D HNCA' 'BEST 3D HNCO' 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 'MHV n-linker peptide' _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 1 199 3 PRO CA C 64.124 0.054 1 2 199 3 PRO CB C 33.086 0.008 1 3 200 4 ALA H H 8.455 0.002 1 4 200 4 ALA CA C 53.572 0.018 1 5 200 4 ALA CB C 20.150 0.077 1 6 200 4 ALA N N 124.234 0.202 1 7 201 5 SER H H 8.281 0.001 1 8 201 5 SER CA C 59.178 0.039 1 9 201 5 SER CB C 64.689 0 1 10 201 5 SER N N 114.791 0.025 1 11 203 7 SER CA C 59.557 0.029 1 12 203 7 SER CB C 64.696 0.022 1 13 204 8 GLY H H 8.459 0.002 1 14 204 8 GLY CA C 46.347 0.077 1 15 204 8 GLY N N 111.013 0.096 1 16 205 9 SER H H 8.254 0.001 1 17 205 9 SER CA C 59.437 0.038 1 18 205 9 SER CB C 64.737 0.029 1 19 205 9 SER N N 115.796 0.027 1 20 206 10 ARG H H 8.482 0.001 1 21 206 10 ARG CA C 57.173 0.061 1 22 206 10 ARG CB C 31.568 0.077 1 23 206 10 ARG N N 123.132 0.101 1 24 207 11 SER H H 8.344 0.004 1 25 207 11 SER CA C 59.495 0.057 1 26 207 11 SER CB C 64.602 0.019 1 27 207 11 SER N N 116.858 0.087 1 28 208 12 GLN H H 8.431 0.002 1 29 208 12 GLN CA C 56.828 0.02 1 30 208 12 GLN CB C 30.385 0.042 1 31 208 12 GLN N N 122.311 0.095 1 32 209 13 SER H H 8.350 0.002 1 33 209 13 SER CA C 59.344 0.012 1 34 209 13 SER CB C 64.675 0.005 1 35 209 13 SER N N 117.133 0.026 1 36 210 14 ARG H H 8.422 0.002 1 37 210 14 ARG CA C 56.969 0.037 1 38 210 14 ARG CB C 31.895 0.055 1 39 210 14 ARG N N 123.171 0.074 1 40 211 15 GLY H H 8.286 0.002 1 41 211 15 GLY CA C 45.596 0.086 1 42 211 15 GLY N N 109.912 0.115 1 43 212 16 PRO CA C 64.366 0.061 1 44 212 16 PRO CB C 33.072 0.067 1 45 213 17 ASN H H 8.566 0.001 1 46 213 17 ASN CA C 54.233 0.072 1 47 213 17 ASN CB C 39.638 0.056 1 48 213 17 ASN N N 118.399 0.033 1 49 214 18 ASN H H 8.314 0.001 1 50 214 18 ASN CA C 54.337 0.024 1 51 214 18 ASN CB C 39.730 0.029 1 52 214 18 ASN N N 119.308 0.046 1 53 215 19 ARG H H 8.230 0.002 1 54 215 19 ARG CA C 57.207 0.013 1 55 215 19 ARG CB C 31.542 0.066 1 56 215 19 ARG N N 121.143 0.073 1 57 216 20 ALA H H 8.266 0.001 1 58 216 20 ALA CA C 53.584 0.018 1 59 216 20 ALA CB C 20.215 0.004 1 60 216 20 ALA N N 124.885 0.133 1 61 217 21 ARG H H 8.319 0.001 1 62 217 21 ARG CA C 57.055 0.015 1 63 217 21 ARG CB C 31.779 0.009 1 64 217 21 ARG N N 120.459 0.059 1 65 218 22 SER H H 8.372 0 1 66 218 22 SER CA C 59.287 0.027 1 67 218 22 SER CB C 64.739 0 1 68 218 22 SER N N 117.020 0.026 1 69 219 23 SER H H 8.435 0 1 70 219 23 SER CA C 59.394 0.009 1 71 219 23 SER CB C 64.734 0 1 72 219 23 SER N N 117.932 0.006 1 73 220 24 SER H H 8.365 0 1 74 220 24 SER CA C 59.609 0.028 1 75 220 24 SER CB C 64.680 0.004 1 76 220 24 SER N N 117.499 0.011 1 77 221 25 ASN H H 8.402 0.002 1 78 221 25 ASN CA C 54.252 0.033 1 79 221 25 ASN CB C 39.692 0.051 1 80 221 25 ASN N N 120.541 0.073 1 81 222 26 GLN H H 8.250 0.001 1 82 222 26 GLN CA C 56.862 0.004 1 83 222 26 GLN CB C 30.363 0.081 1 84 222 26 GLN N N 120.343 0.056 1 85 223 27 ARG H H 8.350 0.001 1 86 223 27 ARG CA C 56.997 0.026 1 87 223 27 ARG CB C 31.689 0.118 1 88 223 27 ARG N N 122.252 0.08 1 89 224 28 GLN H H 8.423 0.001 1 90 224 28 GLN CA C 54.553 0.009 1 91 224 28 GLN CB C 29.784 0 1 92 224 28 GLN N N 122.916 0.115 1 93 225 29 PRO CA C 64.100 0.068 1 94 225 29 PRO CB C 33.064 0.099 1 95 226 30 ALA H H 8.469 0.001 1 96 226 30 ALA CA C 53.564 0.014 1 97 226 30 ALA CB C 20.160 0.104 1 98 226 30 ALA N N 124.479 0.139 1 99 227 31 SER H H 8.303 0.001 1 100 227 31 SER CA C 59.252 0.01 1 101 227 31 SER CB C 64.650 0.021 1 102 227 31 SER N N 114.762 0.032 1 103 228 32 THR H H 8.057 0.001 1 104 228 32 THR CA C 62.838 0.05 1 105 228 32 THR CB C 70.752 0.006 1 106 228 32 THR N N 115.225 0.026 1 107 229 33 TYR H H 8.105 0.001 1 108 229 33 TYR CA C 58.820 0.002 1 109 229 33 TYR CB C 39.773 0.011 1 110 229 33 TYR N N 122.513 0.094 1 111 230 34 LYS H H 7.758 0.001 1 112 230 34 LYS CA C 58.686 0.02 1 113 230 34 LYS CB C 34.959 0 1 114 230 34 LYS N N 127.858 0.155 1 stop_ save_