PDB entry 3v4n

View 3v4n on RCSB PDB site
Description: The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin
Class: Transferase/Inhibitor
Keywords: HYDROXYMETHYLGLUTARYL-CoA SYNTHASE, NITROSYLATION, Transferase-Inhibitor complex
Deposited on 2011-12-15, released 2012-04-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-09-10, with a file datestamp of 2014-09-05.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.146
AEROSPACI score: 0.54 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: HMG-CoA synthase
    Species: Enterococcus faecalis [TaxId:1351]
    Gene: mvaS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9FD71 (5-387)
      • expression tag (1-4)
      • engineered mutation (167)
    Domains in SCOPe 2.07: d3v4na1, d3v4na2, d3v4na3
  • Chain 'B':
    Compound: HMG-CoA synthase
    Species: Enterococcus faecalis [TaxId:1351]
    Gene: mvaS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9FD71 (5-387)
      • expression tag (4)
      • engineered mutation (167)
    Domains in SCOPe 2.07: d3v4nb1, d3v4nb2, d3v4nb3
  • Chain 'C':
    Compound: HMG-CoA synthase
    Species: Enterococcus faecalis [TaxId:1351]
    Gene: mvaS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9FD71 (5-387)
      • engineered mutation (167)
    Domains in SCOPe 2.07: d3v4nc1, d3v4nc2
  • Chain 'D':
    Compound: HMG-CoA synthase
    Species: Enterococcus faecalis [TaxId:1351]
    Gene: mvaS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9FD71 (5-387)
      • engineered mutation (167)
    Domains in SCOPe 2.07: d3v4nd1, d3v4nd2
  • Heterogens: BTB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3v4nA (A:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4nA (A:)
    stgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaa
    naaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygata
    glqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednv
    mltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipy
    tkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattlt
    agnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetld
    tdidqtledelkysisainntvrsyrn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3v4nB (B:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4nB (B:)
    smtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaanaa
    eailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygataglq
    laknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednvmlt
    qdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipytkm
    gkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattltagn
    qiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetldtdi
    dqtledelkysisainntvrsyrn
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3v4nC (C:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4nC (C:)
    mtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaanaae
    ailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygataglql
    aknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednvmltq
    diydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipytkmg
    kkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattltagnq
    iglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetldtdid
    qtledelkysisainntvrsyrn
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3v4nD (D:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4nD (D:)
    mtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaanaae
    ailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygataglql
    aknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednvmltq
    diydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipytkmg
    kkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattltagnq
    iglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetldtdid
    qtledelkysisainntvrsyrn