data_4221 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of Human Immunodeficiency Virus Type 1 (HIV-1) and Moloney Murine Leukemia Virus (MoMLV) Capsid Protein Major Homology Region Peptide Analogs by NMR Spectroscopy ; _BMRB_accession_number 4221 _BMRB_flat_file_name bmr4221.str _Entry_type original _Submission_date 1998-07-29 _Accession_date 1998-07-29 _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 Clish C. B. . 2 Peyton D. H. . 3 Barklis E. . . 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 2000-06-17 original author . stop_ _Original_release_date 2000-06-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structures of Human Immunodeficiency Virus Type 1 (HIV-1) and Moloney Murine Leukemia Virus (MoMLV) Capsid Protein Major Homology Region Peptide Analogs by NMR Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99013448 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clish C. B. . 2 Peyton D. H. . 3 Barklis E. . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_name_full 'European Journal of Biochemistry' _Journal_volume 257 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 69 _Page_last 77 _Year 1998 _Details . loop_ _Keyword Capsid 'major homology region' MHR MoMLV Mu-MLV stop_ save_ ################################## # Molecular system description # ################################## save_system_MoMLV _Saveframe_category molecular_system _Mol_system_name 'Moloney Murine Leukemia Virus Capsid Protein' _Abbreviation_common MoMLV _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MoMLV $MoMLV stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MoMLV _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Moloney Murine Leukemia Virus Capsid Protein' _Abbreviation_common MoMLV _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; CAKVKGITQGPNESPSAFLE RLKEAYRRYTPY ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 ALA 3 LYS 4 VAL 5 LYS 6 GLY 7 ILE 8 THR 9 GLN 10 GLY 11 PRO 12 ASN 13 GLU 14 SER 15 PRO 16 SER 17 ALA 18 PHE 19 LEU 20 GLU 21 ARG 22 LEU 23 LYS 24 GLU 25 ALA 26 TYR 27 ARG 28 ARG 29 TYR 30 THR 31 PRO 32 TYR 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 PDB 1BM4 "Momlv Capsid Protein Major Homology Region Peptide Analog" 96.88 32 100.00 100.00 5.28e-13 GB AAA46576 "gag-raf polyprotein, partial [Moloney murine sarcoma virus]" 96.88 359 100.00 100.00 1.35e-11 GB AAA46579 "gag-raf polyprotein, partial [Moloney murine sarcoma virus]" 96.88 359 100.00 100.00 1.35e-11 GB AAL69908 "gPr80 glycosylated gag polyprotein [Moloney murine leukemia virus]" 96.88 626 100.00 100.00 6.83e-11 PRF 0711245A "protein gag/pol/env" 96.88 2514 100.00 100.00 8.33e-11 SP Q8UN02 "RecName: Full=Glycosylated Gag polyprotein; Short=Pr80gag; AltName: Full=Glyco-gag; AltName: Full=gp80gag; Contains: RecName: F" 96.88 626 100.00 100.00 6.83e-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 $MoMLV mouse . . . . . 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 $MoMLV '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 $MoMLV . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.1 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_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 . H 1 . ppm . . . . . . 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name MoMLV _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 CYS HA H 4.248 . . 2 . 1 CYS HB3 H 3.095 . . 3 . 1 CYS HB2 H 3.164 . . 4 . 2 ALA H H 8.676 . . 5 . 2 ALA HA H 4.401 . . 6 . 2 ALA HB H 1.424 . . 7 . 3 LYS H H 8.213 . . 8 . 3 LYS HA H 4.355 . . 9 . 3 LYS HE2 H 3.001 . . 10 . 3 LYS HE3 H 3.001 . . 11 . 3 LYS HD2 H 1.704 . . 12 . 3 LYS HD3 H 1.704 . . 13 . 3 LYS HB2 H 1.810 . . 14 . 3 LYS HB3 H 1.810 . . 15 . 3 LYS HG2 H 1.455 . . 16 . 3 LYS HG3 H 1.455 . . 17 . 4 VAL H H 7.854 . . 18 . 4 VAL HA H 4.143 . . 19 . 4 VAL HB H 2.060 . . 20 . 4 VAL HG1 H 0.926 . . 21 . 4 VAL HG2 H 0.926 . . 22 . 5 LYS H H 8.213 . . 23 . 5 LYS HA H 4.301 . . 24 . 5 LYS HB2 H 1.810 . . 25 . 5 LYS HB3 H 1.810 . . 26 . 5 LYS HD2 H 1.704 . . 27 . 5 LYS HD3 H 1.704 . . 28 . 5 LYS HG2 H 1.455 . . 29 . 5 LYS HG3 H 1.455 . . 30 . 6 GLY H H 8.201 . . 31 . 6 GLY HA2 H 3.963 . . 32 . 6 GLY HA3 H 3.963 . . 33 . 7 ILE H H 7.825 . . 34 . 7 ILE HA H 4.261 . . 35 . 7 ILE HD1 H 0.861 . . 36 . 7 ILE HB H 1.890 . . 37 . 7 ILE HG13 H 1.179 . . 38 . 7 ILE HG2 H 0.922 . . 39 . 7 ILE HG12 H 1.458 . . 40 . 8 THR H H 7.993 . . 41 . 8 THR HA H 4.394 . . 42 . 8 THR HB H 4.247 . . 43 . 8 THR HG2 H 1.203 . . 44 . 9 GLN H H 8.174 . . 45 . 9 GLN HA H 4.448 . . 46 . 9 GLN HG2 H 2.364 . . 47 . 9 GLN HG3 H 2.144 . . 48 . 9 GLN HB2 H 1.986 . . 49 . 9 GLN HB3 H 1.986 . . 50 . 10 GLY H H 8.151 . . 51 . 10 GLY HA2 H 4.096 . . 52 . 10 GLY HA3 H 4.096 . . 53 . 11 PRO HA H 4.415 . . 54 . 11 PRO HD3 H 3.648 . . 55 . 11 PRO HD2 H 3.555 . . 56 . 12 ASN H H 8.361 . . 57 . 12 ASN HA H 4.667 . . 58 . 12 ASN HB2 H 2.799 . . 59 . 12 ASN HB3 H 2.799 . . 60 . 12 ASN HD21 H 7.502 . . 61 . 12 ASN HD22 H 6.769 . . 62 . 13 GLU H H 8.025 . . 63 . 13 GLU HA H 4.481 . . 64 . 13 GLU HG2 H 2.435 . . 65 . 13 GLU HG3 H 2.181 . . 66 . 13 GLU HB2 H 1.962 . . 67 . 13 GLU HB3 H 1.962 . . 68 . 14 SER H H 8.074 . . 69 . 14 SER HA H 4.811 . . 70 . 14 SER HB2 H 3.958 . . 71 . 14 SER HB3 H 3.958 . . 72 . 15 PRO HA H 4.446 . . 73 . 15 PRO HG3 H 2.143 . . 74 . 15 PRO HG2 H 2.041 . . 75 . 16 SER H H 7.922 . . 76 . 16 SER HA H 4.188 . . 77 . 16 SER HB2 H 3.921 . . 78 . 16 SER HB3 H 3.921 . . 79 . 17 ALA H H 7.922 . . 80 . 17 ALA HA H 4.188 . . 81 . 17 ALA HB H 1.505 . . 82 . 18 PHE H H 7.948 . . 83 . 18 PHE HB2 H 3.207 . . 84 . 18 PHE HB3 H 3.207 . . 85 . 18 PHE HA H 4.263 . . 86 . 18 PHE HD1 H 7.203 . . 87 . 18 PHE HD2 H 7.203 . . 88 . 18 PHE HE1 H 7.266 . . 89 . 18 PHE HE2 H 7.266 . . 90 . 19 LEU H H 8.164 . . 91 . 19 LEU HA H 3.981 . . 92 . 19 LEU HB3 H 1.829 . . 93 . 19 LEU HD1 H 0.927 . . 94 . 19 LEU HD2 H 0.927 . . 95 . 19 LEU HB2 H 1.579 . . 96 . 20 GLU H H 8.035 . . 97 . 20 GLU HA H 4.026 . . 98 . 20 GLU HG2 H 2.511 . . 99 . 20 GLU HG3 H 2.511 . . 100 . 20 GLU HB2 H 2.209 . . 101 . 20 GLU HB3 H 2.122 . . 102 . 21 ARG H H 7.736 . . 103 . 21 ARG HE H 7.211 . . 104 . 21 ARG HA H 4.013 . . 105 . 21 ARG HD2 H 3.179 . . 106 . 21 ARG HD3 H 3.179 . . 107 . 21 ARG HB2 H 1.930 . . 108 . 21 ARG HB3 H 1.930 . . 109 . 21 ARG HG2 H 1.808 . . 110 . 21 ARG HG3 H 1.647 . . 111 . 22 LEU H H 7.973 . . 112 . 22 LEU HA H 3.993 . . 113 . 22 LEU HB2 H 1.581 . . 114 . 22 LEU HB3 H 1.581 . . 115 . 22 LEU HG H 1.489 . . 116 . 22 LEU HD2 H 0.938 . . 117 . 22 LEU HD1 H 0.776 . . 118 . 23 LYS H H 8.171 . . 119 . 23 LYS HA H 3.958 . . 120 . 23 LYS HD2 H 1.661 . . 121 . 23 LYS HD3 H 1.661 . . 122 . 23 LYS HE2 H 2.913 . . 123 . 23 LYS HE3 H 2.913 . . 124 . 23 LYS HB2 H 1.905 . . 125 . 23 LYS HB3 H 1.905 . . 126 . 23 LYS HG2 H 1.408 . . 127 . 23 LYS HG3 H 1.408 . . 128 . 24 GLU H H 7.932 . . 129 . 24 GLU HA H 4.095 . . 130 . 24 GLU HG2 H 2.640 . . 131 . 24 GLU HB2 H 2.163 . . 132 . 24 GLU HB3 H 2.163 . . 133 . 24 GLU HG3 H 2.478 . . 134 . 25 ALA H H 8.065 . . 135 . 25 ALA HA H 4.114 . . 136 . 25 ALA HB H 1.473 . . 137 . 26 TYR H H 8.182 . . 138 . 26 TYR HB2 H 3.105 . . 139 . 26 TYR HB3 H 3.105 . . 140 . 26 TYR HA H 4.337 . . 141 . 26 TYR HD1 H 7.121 . . 142 . 26 TYR HD2 H 7.121 . . 143 . 26 TYR HE1 H 6.776 . . 144 . 26 TYR HE2 H 6.776 . . 145 . 27 ARG H H 7.800 . . 146 . 27 ARG HE H 7.199 . . 147 . 27 ARG HA H 4.153 . . 148 . 27 ARG HD2 H 3.178 . . 149 . 27 ARG HD3 H 3.178 . . 150 . 27 ARG HB2 H 1.883 . . 151 . 27 ARG HB3 H 1.883 . . 152 . 27 ARG HG2 H 1.667 . . 153 . 27 ARG HG3 H 1.667 . . 154 . 28 ARG H H 7.823 . . 155 . 28 ARG HD2 H 3.082 . . 156 . 28 ARG HD3 H 3.082 . . 157 . 28 ARG HE H 7.091 . . 158 . 28 ARG HB2 H 1.697 . . 159 . 28 ARG HB3 H 1.697 . . 160 . 28 ARG HG2 H 1.458 . . 161 . 28 ARG HG3 H 1.458 . . 162 . 28 ARG HA H 4.169 . . 163 . 29 TYR H H 7.897 . . 164 . 29 TYR HA H 4.593 . . 165 . 29 TYR HB3 H 3.119 . . 166 . 29 TYR HB2 H 2.899 . . 167 . 29 TYR HD1 H 7.121 . . 168 . 29 TYR HD2 H 7.121 . . 169 . 29 TYR HE1 H 6.776 . . 170 . 29 TYR HE2 H 6.776 . . 171 . 30 THR H H 7.558 . . 172 . 30 THR HA H 4.579 . . 173 . 30 THR HB H 3.998 . . 174 . 30 THR HG2 H 1.126 . . 175 . 31 PRO HA H 4.391 . . 176 . 31 PRO HG3 H 1.918 . . 177 . 31 PRO HG2 H 1.820 . . 178 . 32 TYR H H 7.450 . . 179 . 32 TYR HA H 4.542 . . 180 . 32 TYR HB3 H 2.967 . . 181 . 32 TYR HB2 H 3.092 . . 182 . 32 TYR HD1 H 7.099 . . 183 . 32 TYR HD2 H 7.099 . . 184 . 32 TYR HE1 H 6.828 . . 185 . 32 TYR HE2 H 6.828 . . stop_ save_