data_4220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIV-1 capsid protein major homology region peptide analog ; _BMRB_accession_number 4220 _BMRB_flat_file_name bmr4220.str _Entry_type original _Submission_date 1998-07-28 _Accession_date 1998-07-28 _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" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-04-07 original author . stop_ _Original_release_date 2000-04-07 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_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 HIV 'major homology region' MHR P24 stop_ save_ ################################## # Molecular system description # ################################## save_system_HIV-1_capsid _Saveframe_category molecular_system _Mol_system_name 'HIV-1 capsid' _Abbreviation_common 'HIV-1 capsid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 capsid' $HIV-1_capsid stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_capsid _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HIV-1 capsid' _Abbreviation_common 'HIV-1 capsid' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 31 _Mol_residue_sequence ; CSILDIRQGPKEPFRDYVDR FYKTLRAEQAS ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 SER 3 ILE 4 LEU 5 ASP 6 ILE 7 ARG 8 GLN 9 GLY 10 PRO 11 LYS 12 GLU 13 PRO 14 PHE 15 ARG 16 ASP 17 TYR 18 VAL 19 ASP 20 ARG 21 PHE 22 TYR 23 LYS 24 THR 25 LEU 26 ARG 27 ALA 28 GLU 29 GLN 30 ALA 31 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 BMRB 15137 "CAC monomer" 96.77 87 100.00 100.00 2.34e-12 BMRB 16555 HIV-1_Capsid_Protein 96.77 88 100.00 100.00 3.45e-12 BMRB 17307 Capsid_protein_p24 96.77 105 100.00 100.00 1.88e-13 BMRB 17738 HIV-1_CA 96.77 240 100.00 100.00 7.29e-13 BMRB 19261 HIVcapsid 96.77 231 100.00 100.00 7.00e-13 BMRB 19264 entity 96.77 231 100.00 100.00 7.00e-13 BMRB 19575 HIV1_CA 96.77 231 100.00 100.00 7.00e-13 BMRB 25532 Gag 96.77 432 100.00 100.00 1.37e-11 PDB 1A43 "Structure Of The Hiv-1 Capsid Protein Dimerization Domain At 2.6a Resolution" 96.77 87 100.00 100.00 2.92e-12 PDB 1A8O "Hiv Capsid C-Terminal Domain" 87.10 70 100.00 100.00 3.98e-10 PDB 1AUM "Hiv Capsid C-Terminal Domain (Cac146)" 90.32 70 100.00 100.00 5.89e-11 PDB 1BAJ "Hiv-1 Capsid Protein C-Terminal Fragment Plus Gag P2 Domain" 96.77 101 100.00 100.00 7.18e-13 PDB 1BMX "Hiv-1 Capsid Protein Major Homology Region Peptide Analog, Nmr, 8 Structures" 100.00 31 100.00 100.00 3.77e-13 PDB 1E6J "Crystal Structure Of Hiv-1 Capsid Protein (p24) In Complex With Fab13b5" 96.77 210 100.00 100.00 8.50e-13 PDB 1VU4 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VU5 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VU6 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VU7 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VU8 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VU9 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUA "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUC "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUD "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUE "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUF "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUG "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUH "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUI "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUJ "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUK "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUL "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUM "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUN "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUO "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUP "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUQ "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUR "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUS "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUT "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUU "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUV "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUW "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUX "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUY "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VUZ "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV0 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV1 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV2 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV3 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV4 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV5 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV6 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV7 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV8 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VV9 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VVA "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VVB "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VVF "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VVG "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VVH "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 1VVI "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.77 231 100.00 100.00 7.00e-13 PDB 2BUO "Hiv-1 Capsid C-Terminal Domain In Complex With An Inhibitor Of Particle Assembly" 96.77 86 100.00 100.00 3.15e-12 PDB 2JO0 "The Solution Structure Of The Monomeric Species Of The C Terminal Domain Of The Ca Protein Of Hiv-1" 96.77 87 100.00 100.00 2.34e-12 PDB 2JYG "Solution Structure Of The W184aM185A MUTANT OF THE CARBOXY- Terminal Dimerization Domain Of The Hiv-1 Capsid Protein" 96.77 84 100.00 100.00 2.47e-12 PDB 2JYL "Solution Structure Of A Double Mutant Of The Carboxy- Terminal Dimerization Domain Of The Hiv-1 Capsid Protein" 96.77 105 100.00 100.00 1.88e-13 PDB 2KOD "A High-Resolution Nmr Structure Of The Dimeric C-Terminal Domain Of Hiv-1 Ca" 96.77 88 100.00 100.00 3.45e-12 PDB 2L6E "Nmr Structure Of The Monomeric Mutant C-Terminal Domain Of Hiv-1 Capsid In Complex With Stapled Peptide Inhibitor" 96.77 105 100.00 100.00 1.88e-13 PDB 2LF4 "Structure Of A Monomeric Mutant Of The Hiv-1 Capsid Protein" 96.77 240 100.00 100.00 7.29e-13 PDB 2M8L "Hiv Capsid Dimer Structure" 96.77 221 100.00 100.00 6.73e-13 PDB 2M8N "Hiv-1 Capsid Monomer Structure" 96.77 221 100.00 100.00 6.73e-13 PDB 2M8P "The Structure Of The W184am185a Mutant Of The Hiv-1 Capsid Protein" 96.77 221 100.00 100.00 8.54e-13 PDB 2XT1 "Crystal Structure Of The Hiv-1 Capsid Protein C-Terminal Domain (146-231) In Complex With A Camelid Vhh" 96.77 86 100.00 100.00 3.15e-12 PDB 2XV6 "Crystal Structure Of The Hiv-1 Capsid Protein C-Terminal Domain (146-220) In Complex With A Camelid Vhh." 96.77 75 100.00 100.00 2.70e-12 PDB 2XXM "Crystal Structure Of The Hiv-1 Capsid Protein C-Terminal Domain In Complex With A Camelid Vhh And The Cai Peptide" 96.77 75 100.00 100.00 2.70e-12 PDB 3DIK "Pseudo-Atomic Model Of The Hiv-1 Ca Hexameric Lattice" 96.77 219 100.00 100.00 8.22e-13 PDB 3DPH "Hiv-1 Capsid C-Terminal Domain Mutant (L211s)" 96.77 86 100.00 100.00 3.15e-12 PDB 3DS0 "Hiv-1 Capsid C-Terminal Domain Mutant (N183a) In Complex With An Inhibitor Of Particle Assembly (Cai)" 96.77 86 100.00 100.00 3.32e-12 PDB 3DS1 "Hiv-1 Capsid C-Terminal Domain Mutant (E187a) In Complex With An Inhibitor Of Particle Assembly (Cai)" 96.77 86 100.00 100.00 2.99e-12 PDB 3DS4 "Hiv-1 Capsid C-Terminal Domain Mutant (L211s) In Complex With An Inhibitor Of Particle Assembly (Cai)" 96.77 86 100.00 100.00 3.15e-12 PDB 3DS5 "Hiv-1 Capsid C-Terminal Domain Mutant (N183a)" 96.77 86 100.00 100.00 3.32e-12 PDB 3DTJ "Hiv-1 Capsid C-terminal Domain Mutant (e187a)" 96.77 86 100.00 100.00 2.99e-12 PDB 3GV2 "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.77 342 100.00 100.00 2.14e-12 PDB 3H47 "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.77 231 100.00 100.00 7.14e-13 PDB 3H4E "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.77 231 100.00 100.00 7.14e-13 PDB 3J34 "Structure Of Hiv-1 Capsid Protein By Cryo-em" 96.77 231 100.00 100.00 7.00e-13 PDB 3J4F "Structure Of Hiv-1 Capsid Protein By Cryo-em" 96.77 231 100.00 100.00 7.00e-13 PDB 3LRY "Crystal Structure Of Synthetic Hiv-1 Capsid C-Terminal Domain (Cca)" 96.77 86 100.00 100.00 3.15e-12 PDB 3MGE "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.77 231 100.00 100.00 7.96e-13 PDB 3NTE "Crystal Structure Of The Wild-type Full-length Hiv-1 Capsid Protein" 96.77 221 100.00 100.00 7.51e-13 PDB 3P05 "X-Ray Structure Of Pentameric Hiv-1 Ca" 96.77 231 100.00 100.00 8.62e-13 PDB 3P0A "X-Ray Structure Of Pentameric Hiv-1 Ca" 96.77 231 100.00 100.00 7.00e-13 PDB 4ARG "Structure Of The Immature Retroviral Capsid At 8a Resolution By Cryo-Electron Microscopy" 90.32 69 100.00 100.00 4.98e-11 PDB 4IPY "Hiv Capsid C-terminal Domain" 96.77 87 100.00 100.00 2.92e-12 PDB 4QNB "Disulfide Stabilized Hiv-1 Ca Hexamer In Complex With Phenyl-l- Phenylalaninamide Inhibitor" 96.77 231 100.00 100.00 7.14e-13 PDB 4U0A "Hexameric Hiv-1 Ca In Complex With Cpsf6 Peptide, P6 Crystal Form" 96.77 231 100.00 100.00 7.14e-13 PDB 4U0B "Hexamer Hiv-1 Ca In Complex With Cpsf6 Peptide, P212121 Crystal Form" 96.77 231 100.00 100.00 7.14e-13 PDB 4U0C "Hexameric Hiv-1 Ca In Complex With Nup153 Peptide, P6 Crystal Form" 96.77 231 100.00 100.00 7.14e-13 PDB 4U0D "Hexameric Hiv-1 Ca In Complex With Nup153 Peptide, P212121 Crystal Form" 96.77 231 100.00 100.00 7.14e-13 PDB 4U0E "Hexameric Hiv-1 Ca In Complex With Pf3450074" 96.77 231 100.00 100.00 7.14e-13 PDB 4U0F "Hexameric Hiv-1 Ca In Complex With Bi-2" 96.77 231 100.00 100.00 7.14e-13 PDB 4WYM "Structural Basis Of Hiv-1 Capsid Recognition By Cpsf6" 96.77 231 100.00 100.00 7.14e-13 PDB 4XFX "Structure Of The Native Full-length Hiv-1 Capsid Protein" 96.77 231 100.00 100.00 7.00e-13 PDB 4XFY "Structure Of The Native Full-length Dehydrated Hiv-1 Capsid Protein" 96.77 231 100.00 100.00 7.00e-13 PDB 4XFZ "Structure Of The Native Full-length Hiv-1 Capsid Protein In Complex With Pf-3450074 (pf74)" 96.77 231 100.00 100.00 7.00e-13 DBJ BAA00992 "gag polyprotein [Human immunodeficiency virus 1]" 96.77 500 100.00 100.00 2.97e-11 DBJ BAA12988 "Gag [Human immunodeficiency virus 1]" 96.77 512 100.00 100.00 6.06e-11 DBJ BAA12996 "Gag [Human immunodeficiency virus 1]" 96.77 512 100.00 100.00 6.95e-11 DBJ BAA93773 "gag protein [Human immunodeficiency virus 1]" 96.77 231 100.00 100.00 7.81e-13 DBJ BAA93774 "gag protein [Human immunodeficiency virus 1]" 96.77 231 100.00 100.00 7.00e-13 EMBL CAA11880 "p24 [Human immunodeficiency virus 1]" 96.77 189 100.00 100.00 1.46e-12 EMBL CAA11882 "p24 [Human immunodeficiency virus 1]" 96.77 190 100.00 100.00 9.76e-13 EMBL CAA11884 "p24 [Human immunodeficiency virus 1]" 96.77 191 100.00 100.00 7.42e-13 EMBL CAA11885 "p24 [Human immunodeficiency virus 1]" 93.55 183 100.00 100.00 4.67e-12 EMBL CAA11886 "p24 [Human immunodeficiency virus 1]" 96.77 190 100.00 100.00 1.50e-12 GB AAA44201 "gag polyprotein precursor [Human immunodeficiency virus 1]" 96.77 512 100.00 100.00 6.18e-11 GB AAA44224 "gag protein, partial [Human immunodeficiency virus 1]" 96.77 493 100.00 100.00 4.07e-11 GB AAA44306 "gag polyprotein [Human immunodeficiency virus 1]" 96.77 500 100.00 100.00 5.56e-11 GB AAA44313 "gag protein, partial [Human immunodeficiency virus 1]" 96.77 492 100.00 100.00 2.64e-11 GB AAA44324 "gag protein [Human immunodeficiency virus 1]" 96.77 500 100.00 100.00 3.15e-11 PIR FOVWLV "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" 96.77 500 100.00 100.00 4.22e-11 PRF 1102247B "protein gag" 96.77 512 100.00 100.00 6.18e-11 PRF 1103299C "gag gene" 96.77 478 100.00 100.00 3.03e-11 REF NP_057849 "Gag-Pol [Human immunodeficiency virus 1]" 96.77 1435 100.00 100.00 3.26e-11 REF NP_057850 "Pr55(Gag) [Human immunodeficiency virus 1]" 96.77 500 100.00 100.00 4.31e-11 REF NP_579880 "capsid [Human immunodeficiency virus 1]" 96.77 231 100.00 100.00 7.00e-13 SP P03347 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 96.77 512 100.00 100.00 6.18e-11 SP P03348 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 96.77 512 100.00 100.00 6.06e-11 SP P03349 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 96.77 502 100.00 100.00 4.59e-11 SP P03366 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 96.77 1447 100.00 100.00 3.27e-11 SP P03367 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 96.77 1447 100.00 100.00 3.33e-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 $HIV-1_capsid human 9606 Eukaryota . Homo sapiens 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 $HIV-1_capsid '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HIV-1_capsid . mM 5 7 . H2O 90 % . . . D2O 10 % . . . 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_chem_shift_ref _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 . . . . . . . . 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 $chem_shift_ref _Mol_system_component_name 'HIV-1 capsid' _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 4.277 . . 2 . 1 CYS HB2 H 3.036 . . 3 . 1 CYS HB3 H 3.115 . . 4 . 2 SER H H 8.823 . . 5 . 2 SER HA H 4.693 . . 6 . 2 SER HB2 H 4.023 . . 7 . 2 SER HB3 H 3.847 . . 8 . 3 ILE H H 8.323 . . 9 . 3 ILE HA H 4.082 . . 10 . 3 ILE HB H 1.855 . . 11 . 3 ILE HG12 H 1.237 . . 12 . 3 ILE HG13 H 1.459 . . 13 . 3 ILE HG2 H 0.910 . . 14 . 3 ILE HD1 H 0.863 . . 15 . 4 LEU H H 7.706 . . 16 . 4 LEU HA H 4.147 . . 17 . 4 LEU HG H 1.558 . . 18 . 4 LEU HD1 H 0.878 . . 19 . 4 LEU HB2 H 1.588 . . 20 . 4 LEU HD2 H 0.810 . . 21 . 5 ASP H H 7.847 . . 22 . 5 ASP HA H 4.583 . . 23 . 5 ASP HB2 H 2.845 . . 24 . 6 ILE H H 7.601 . . 25 . 6 ILE HA H 4.012 . . 26 . 6 ILE HB H 1.969 . . 27 . 6 ILE HG12 H 1.506 . . 28 . 6 ILE HG13 H 1.216 . . 29 . 6 ILE HG2 H 0.898 . . 30 . 6 ILE HD1 H 0.831 . . 31 . 7 ARG HE H 7.281 . . 32 . 7 ARG H H 8.053 . . 33 . 7 ARG HD2 H 3.145 . . 34 . 7 ARG HA H 4.191 . . 35 . 7 ARG HB3 H 1.831 . . 36 . 7 ARG HG3 H 1.647 . . 37 . 7 ARG HG2 H 1.716 . . 38 . 7 ARG HB2 H 1.880 . . 39 . 8 GLN H H 7.960 . . 40 . 8 GLN HA H 4.406 . . 41 . 8 GLN HB2 H 2.021 . . 42 . 8 GLN HG2 H 2.184 . . 43 . 8 GLN HG3 H 2.377 . . 44 . 8 GLN HE21 H 7.349 . . 45 . 8 GLN HE22 H 6.636 . . 46 . 9 GLY H H 7.901 . . 47 . 9 GLY HA2 H 4.071 . . 48 . 10 PRO HD2 H 3.596 . . 49 . 10 PRO HA H 4.490 . . 50 . 10 PRO HB3 H 1.928 . . 51 . 10 PRO HG2 H 2.012 . . 52 . 10 PRO HB2 H 2.297 . . 53 . 11 LYS H H 8.408 . . 54 . 11 LYS HA H 4.362 . . 55 . 11 LYS HE2 H 3.012 . . 56 . 11 LYS HB2 H 1.796 . . 57 . 11 LYS HD2 H 1.691 . . 58 . 11 LYS HG2 H 1.481 . . 59 . 13 PRO HD2 H 3.690 . . 60 . 13 PRO HA H 4.400 . . 61 . 13 PRO HD3 H 3.559 . . 62 . 13 PRO HB3 H 2.258 . . 63 . 13 PRO HB2 H 1.799 . . 64 . 13 PRO HG2 H 1.972 . . 65 . 14 PHE H H 7.502 . . 66 . 14 PHE HA H 4.494 . . 67 . 14 PHE HB2 H 3.150 . . 68 . 14 PHE HE1 H 7.246 . . 69 . 15 ARG HE H 7.207 . . 70 . 15 ARG H H 8.049 . . 71 . 15 ARG HA H 3.913 . . 72 . 15 ARG HB2 H 1.869 . . 73 . 15 ARG HG2 H 1.642 . . 74 . 15 ARG HG3 H 1.706 . . 75 . 15 ARG HD2 H 3.204 . . 76 . 16 ASP H H 8.290 . . 77 . 16 ASP HA H 4.418 . . 78 . 16 ASP HB2 H 2.771 . . 79 . 17 TYR H H 7.773 . . 80 . 17 TYR HA H 4.179 . . 81 . 17 TYR HB2 H 3.121 . . 82 . 17 TYR HD1 H 7.005 . . 83 . 17 TYR HE1 H 6.730 . . 84 . 18 VAL H H 8.088 . . 85 . 18 VAL HA H 3.528 . . 86 . 18 VAL HB H 1.995 . . 87 . 18 VAL HG1 H 0.828 . . 88 . 18 VAL HG2 H 0.938 . . 89 . 19 ASP H H 8.245 . . 90 . 19 ASP HA H 4.499 . . 91 . 19 ASP HB3 H 2.959 . . 92 . 19 ASP HB2 H 2.806 . . 93 . 20 ARG HE H 7.187 . . 94 . 20 ARG H H 7.829 . . 95 . 20 ARG HD2 H 3.099 . . 96 . 20 ARG HA H 3.965 . . 97 . 20 ARG HB2 H 1.852 . . 98 . 20 ARG HG3 H 1.650 . . 99 . 20 ARG HG2 H 1.509 . . 100 . 21 PHE H H 8.405 . . 101 . 21 PHE HA H 4.141 . . 102 . 21 PHE HB2 H 2.885 . . 103 . 21 PHE HB3 H 3.146 . . 104 . 21 PHE HE1 H 7.164 . . 105 . 21 PHE HD1 H 6.927 . . 106 . 22 TYR H H 8.544 . . 107 . 22 TYR HA H 4.046 . . 108 . 22 TYR HB3 H 3.099 . . 109 . 22 TYR HD1 H 7.134 . . 110 . 22 TYR HE1 H 6.779 . . 111 . 23 LYS H H 8.240 . . 112 . 23 LYS HA H 3.839 . . 113 . 23 LYS HD2 H 1.654 . . 114 . 23 LYS HG2 H 1.417 . . 115 . 23 LYS HE2 H 2.953 . . 116 . 23 LYS HB3 H 1.860 . . 117 . 23 LYS HB2 H 1.924 . . 118 . 24 THR H H 7.868 . . 119 . 24 THR HA H 3.864 . . 120 . 24 THR HB H 4.250 . . 121 . 24 THR HG2 H 1.147 . . 122 . 25 LEU H H 7.981 . . 123 . 25 LEU HA H 3.898 . . 124 . 25 LEU HB2 H 1.429 . . 125 . 25 LEU HD1 H 0.696 . . 126 . 26 ARG HE H 7.115 . . 127 . 26 ARG H H 8.048 . . 128 . 26 ARG HD2 H 3.050 . . 129 . 26 ARG HA H 3.947 . . 130 . 26 ARG HB2 H 1.741 . . 131 . 26 ARG HG2 H 1.529 . . 132 . 26 ARG HG3 H 1.440 . . 133 . 27 ALA H H 7.822 . . 134 . 27 ALA HA H 4.121 . . 135 . 27 ALA HB H 1.481 . . 136 . 28 GLU H H 8.046 . . 137 . 28 GLU HA H 4.145 . . 138 . 28 GLU HG3 H 2.576 . . 139 . 28 GLU HB2 H 2.146 . . 140 . 28 GLU HG2 H 2.461 . . 141 . 29 GLN HG2 H 2.465 . . 142 . 29 GLN HG3 H 2.386 . . 143 . 29 GLN HB3 H 2.140 . . 144 . 29 GLN HB2 H 2.061 . . 145 . 29 GLN HA H 4.189 . . 146 . 29 GLN H H 7.942 . . 147 . 29 GLN HE21 H 7.226 . . 148 . 29 GLN HE22 H 6.513 . . 149 . 30 ALA H H 7.788 . . 150 . 30 ALA HA H 4.366 . . 151 . 30 ALA HB H 1.437 . . 152 . 31 SER H H 7.777 . . 153 . 31 SER HA H 4.432 . . 154 . 31 SER HB2 H 3.936 . . stop_ save_