data_810 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Computer-aided assignment of the 1H-NMR spectrum of the viral-protein-genome-linked polypeptide from cowpea mosaic virus ; _BMRB_accession_number 810 _BMRB_flat_file_name bmr810.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 'van de Ven' F. J.M. . 2 Lycksell Per-Olof . . 3 'van Kammen' Ab . . 4 Hilbers C. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; van de Ven, F. J. M., Lycksell, Per-Olof, van Kammen, Ab, Hilbers, C. W., "Computer-aided assignment of the 1H-NMR spectrum of the viral-protein-genome-linked polypeptide from cowpea mosaic virus," Eur. J. Biochem. 190, 583-591 (1990). ; _Citation_title ; Computer-aided assignment of the 1H-NMR spectrum of the viral-protein-genome-linked polypeptide from cowpea mosaic virus ; _Citation_status published _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 'van de Ven' F. J.M. . 2 Lycksell Per-Olof . . 3 'van Kammen' Ab . . 4 Hilbers C. W. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 190 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 583 _Page_last 591 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_Vpq_polypeptide _Saveframe_category molecular_system _Mol_system_name 'Vpq polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Vpq polypeptide' $Vpq_polypeptide stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Vpq_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Vpq polypeptide' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; SRKPNRFDMQQYRYNNVPLK RRVWADAQ ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ARG 3 LYS 4 PRO 5 ASN 6 ARG 7 PHE 8 ASP 9 MET 10 GLN 11 GLN 12 TYR 13 ARG 14 TYR 15 ASN 16 ASN 17 VAL 18 PRO 19 LEU 20 LYS 21 ARG 22 ARG 23 VAL 24 TRP 25 ALA 26 ASP 27 ALA 28 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 EMBL CAA25029 "unnamed protein product [Cowpea mosaic virus]" 100.00 1866 100.00 100.00 2.35e-11 REF NP_613283 "polyprotein [Cowpea mosaic virus]" 100.00 1866 100.00 100.00 2.35e-11 REF NP_734055 "vpg [Cowpea mosaic virus]" 100.00 28 100.00 100.00 1.30e-10 SP P03600 "RecName: Full=RNA1 polyprotein; AltName: Full=Genome polyprotein B; AltName: Full=P1; Contains: RecName: Full=Protease cofactor" 100.00 1866 100.00 100.00 2.35e-11 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 $Vpq_polypeptide 'E. coli' 562 Bacteria . Escherichia coli AW608thr+ 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 $Vpq_polypeptide 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.3 . na temperature 280 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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 . . ppm 0 . . . . . $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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'Vpq polypeptide' _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 SER HA H 4.09 . 1 2 . 1 SER HB2 H 3.95 . 2 3 . 1 SER HB3 H 3.88 . 2 4 . 2 ARG HA H 4.33 . 1 5 . 2 ARG HB2 H 1.74 . 2 6 . 2 ARG HB3 H 1.69 . 2 7 . 2 ARG HG2 H 1.56 . 1 8 . 2 ARG HG3 H 1.56 . 1 9 . 2 ARG HD2 H 3.12 . 1 10 . 2 ARG HD3 H 3.12 . 1 11 . 2 ARG HE H 7.22 . 1 12 . 3 LYS H H 8.68 . 1 13 . 3 LYS HA H 4.52 . 1 14 . 3 LYS HB2 H 1.78 . 2 15 . 3 LYS HB3 H 1.66 . 2 16 . 3 LYS HG2 H 1.45 . 1 17 . 3 LYS HG3 H 1.45 . 1 18 . 3 LYS HE2 H 2.94 . 1 19 . 3 LYS HE3 H 2.94 . 1 20 . 4 PRO HA H 4.36 . 1 21 . 4 PRO HB2 H 2.22 . 2 22 . 4 PRO HB3 H 1.8 . 2 23 . 4 PRO HG2 H 1.95 . 1 24 . 4 PRO HG3 H 1.95 . 1 25 . 4 PRO HD2 H 3.81 . 2 26 . 4 PRO HD3 H 3.59 . 2 27 . 5 ASN H H 8.7 . 1 28 . 5 ASN HA H 4.61 . 1 29 . 5 ASN HB2 H 2.72 . 1 30 . 5 ASN HB3 H 2.72 . 1 31 . 5 ASN HD21 H 7.69 . 2 32 . 5 ASN HD22 H 7.02 . 2 33 . 6 ARG H H 8.43 . 1 34 . 6 ARG HA H 4.14 . 1 35 . 6 ARG HB2 H 1.59 . 1 36 . 6 ARG HB3 H 1.59 . 1 37 . 6 ARG HG2 H 1.27 . 1 38 . 6 ARG HG3 H 1.27 . 1 39 . 6 ARG HD2 H 3.01 . 1 40 . 6 ARG HD3 H 3.01 . 1 41 . 6 ARG HE H 7.25 . 1 42 . 7 PHE H H 8.3 . 1 43 . 7 PHE HA H 4.5 . 1 44 . 7 PHE HB2 H 3.12 . 2 45 . 7 PHE HB3 H 2.94 . 2 46 . 7 PHE HD1 H 7.2 . 1 47 . 7 PHE HD2 H 7.2 . 1 48 . 7 PHE HE1 H 7.28 . 1 49 . 7 PHE HE2 H 7.28 . 1 50 . 7 PHE HZ H 7.28 . 1 51 . 8 ASP H H 8.17 . 1 52 . 8 ASP HA H 4.51 . 1 53 . 8 ASP HB2 H 2.66 . 2 54 . 8 ASP HB3 H 2.62 . 2 55 . 9 MET H H 8.29 . 1 56 . 9 MET HA H 4.36 . 1 57 . 9 MET HB2 H 2.08 . 2 58 . 9 MET HB3 H 1.96 . 2 59 . 9 MET HG2 H 2.59 . 2 60 . 9 MET HG3 H 2.5 . 2 61 . 9 MET HE H 2.02 . 1 62 . 10 GLN H H 8.36 . 1 63 . 10 GLN HA H 4.14 . 1 64 . 10 GLN HB2 H 1.97 . 1 65 . 10 GLN HB3 H 1.97 . 1 66 . 10 GLN HG2 H 2.28 . 1 67 . 10 GLN HG3 H 2.28 . 1 68 . 10 GLN HE21 H 7.58 . 1 69 . 10 GLN HE22 H 7.58 . 1 70 . 11 GLN H H 8.22 . 1 71 . 11 GLN HA H 4.13 . 1 72 . 11 GLN HB2 H 1.91 . 2 73 . 11 GLN HB3 H 1.85 . 2 74 . 11 GLN HG2 H 2.1 . 1 75 . 11 GLN HG3 H 2.1 . 1 76 . 11 GLN HE21 H 7.5 . 2 77 . 11 GLN HE22 H 6.86 . 2 78 . 12 TYR H H 8.12 . 1 79 . 12 TYR HA H 4.45 . 1 80 . 12 TYR HB2 H 2.95 . 2 81 . 12 TYR HB3 H 2.85 . 2 82 . 12 TYR HD1 H 7.02 . 1 83 . 12 TYR HD2 H 7.02 . 1 84 . 12 TYR HE1 H 6.73 . 1 85 . 12 TYR HE2 H 6.73 . 1 86 . 13 ARG H H 8 . 1 87 . 13 ARG HA H 4.14 . 1 88 . 13 ARG HB2 H 1.56 . 1 89 . 13 ARG HB3 H 1.56 . 1 90 . 13 ARG HG2 H 1.34 . 1 91 . 13 ARG HG3 H 1.34 . 1 92 . 13 ARG HD2 H 3.03 . 1 93 . 13 ARG HD3 H 3.03 . 1 94 . 13 ARG HE H 7.12 . 1 95 . 14 TYR H H 8.11 . 1 96 . 14 TYR HA H 4.46 . 1 97 . 14 TYR HB2 H 3.01 . 2 98 . 14 TYR HB3 H 2.86 . 2 99 . 14 TYR HD1 H 7.06 . 1 100 . 14 TYR HD2 H 7.06 . 1 101 . 14 TYR HE1 H 6.77 . 1 102 . 14 TYR HE2 H 6.77 . 1 103 . 15 ASN H H 8.29 . 1 104 . 15 ASN HA H 4.57 . 1 105 . 15 ASN HB2 H 2.72 . 2 106 . 15 ASN HB3 H 2.65 . 2 107 . 16 ASN H H 8.31 . 1 108 . 16 ASN HA H 4.57 . 1 109 . 16 ASN HB2 H 2.72 . 2 110 . 16 ASN HB3 H 2.65 . 2 111 . 16 ASN HD21 H 7.61 . 2 112 . 16 ASN HD22 H 6.9 . 2 113 . 17 VAL H H 8.03 . 1 114 . 17 VAL HA H 4.32 . 1 115 . 17 VAL HB H 2.02 . 1 116 . 17 VAL HG1 H .89 . 1 117 . 17 VAL HG2 H .89 . 1 118 . 18 PRO HA H 4.32 . 1 119 . 18 PRO HB2 H 2.22 . 2 120 . 18 PRO HB3 H 1.8 . 2 121 . 18 PRO HG2 H 1.95 . 1 122 . 18 PRO HG3 H 1.95 . 1 123 . 18 PRO HD2 H 3.81 . 2 124 . 18 PRO HD3 H 3.59 . 2 125 . 19 LEU H H 8.38 . 1 126 . 19 LEU HA H 4.18 . 1 127 . 19 LEU HB2 H 1.5 . 1 128 . 19 LEU HB3 H 1.5 . 1 129 . 19 LEU HG H 1.57 . 1 130 . 19 LEU HD1 H .84 . 1 131 . 19 LEU HD2 H .84 . 1 132 . 20 LYS H H 8.42 . 1 133 . 20 LYS HA H 4.22 . 1 134 . 20 LYS HB2 H 1.73 . 1 135 . 20 LYS HB3 H 1.73 . 1 136 . 20 LYS HE2 H 2.92 . 1 137 . 20 LYS HE3 H 2.92 . 1 138 . 21 ARG H H 8.33 . 1 139 . 21 ARG HA H 4.22 . 1 140 . 21 ARG HB2 H 1.73 . 2 141 . 21 ARG HB3 H 1.66 . 2 142 . 21 ARG HG2 H 1.54 . 2 143 . 21 ARG HG3 H 1.47 . 2 144 . 21 ARG HD2 H 3.07 . 1 145 . 21 ARG HD3 H 3.07 . 1 146 . 21 ARG HE H 7.18 . 1 147 . 22 ARG H H 8.38 . 1 148 . 22 ARG HA H 4.18 . 1 149 . 22 ARG HB2 H 1.57 . 1 150 . 22 ARG HB3 H 1.57 . 1 151 . 22 ARG HG2 H 1.43 . 2 152 . 22 ARG HG3 H 1.33 . 2 153 . 22 ARG HD2 H 2.96 . 1 154 . 22 ARG HD3 H 2.96 . 1 155 . 22 ARG HE H 7 . 1 156 . 23 VAL H H 8.24 . 1 157 . 23 VAL HA H 4.04 . 1 158 . 23 VAL HB H 1.95 . 1 159 . 23 VAL HG1 H .81 . 1 160 . 23 VAL HG2 H .81 . 1 161 . 24 TRP H H 8.36 . 1 162 . 24 TRP HA H 4.56 . 1 163 . 24 TRP HB2 H 3.23 . 2 164 . 24 TRP HB3 H 3.13 . 2 165 . 24 TRP HD1 H 7.17 . 1 166 . 24 TRP HE1 H 10.07 . 1 167 . 24 TRP HE3 H 7.55 . 1 168 . 24 TRP HZ3 H 7.14 . 1 169 . 24 TRP HH2 H 7.17 . 1 170 . 25 ALA H H 8.17 . 1 171 . 25 ALA HA H 4.15 . 1 172 . 25 ALA HB H 1.24 . 1 173 . 26 ASP H H 8.12 . 1 174 . 26 ASP HA H 4.45 . 1 175 . 26 ASP HB2 H 2.65 . 2 176 . 26 ASP HB3 H 2.51 . 2 177 . 27 ALA H H 8.13 . 1 178 . 27 ALA HA H 4.24 . 1 179 . 27 ALA HB H 1.32 . 1 180 . 28 GLN H H 7.98 . 1 181 . 28 GLN HA H 4.04 . 1 182 . 28 GLN HB2 H 2.05 . 2 183 . 28 GLN HB3 H 1.83 . 2 184 . 28 GLN HG2 H 2.2 . 1 185 . 28 GLN HG3 H 2.2 . 1 stop_ save_