PDB entry 3v4x

View 3v4x on RCSB PDB site
Description: The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin
Class: Transferase/Inhibitor
Keywords: HYDROXYMETHYLGLUTARYL-CoA SYNTHASE, Hymeglusin covalent adduct, Transferase-Inhibitor complex
Deposited on 2011-12-15, released 2012-04-25
The last revision prior to the SCOPe 2.06 freeze date was dated 2013-11-27, with a file datestamp of 2013-11-22.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.175
AEROSPACI score: 0.4 (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 2.06: d3v4xa1, d3v4xa2, d3v4xa3
  • 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 (2-4)
      • engineered mutation (167)
    Domains in SCOPe 2.06: d3v4xb1, d3v4xb2, d3v4xb3
  • Chain 'C':
    Compound: HMG-CoA synthase
    Species: Enterococcus faecalis [TaxId:1351]
    Gene: mvaS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9FD71 (5-387)
      • expression tag (2-4)
      • engineered mutation (167)
    Domains in SCOPe 2.06: d3v4xc1, d3v4xc2, d3v4xc3
  • Chain 'D':
    Compound: HMG-CoA synthase
    Species: Enterococcus faecalis [TaxId:1351]
    Gene: mvaS
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9FD71 (5-387)
      • expression tag (2-4)
      • engineered mutation (167)
    Domains in SCOPe 2.06: d3v4xd1, d3v4xd2, d3v4xd3
  • Heterogens: F24, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3v4xA (A:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4xA (A:)
    stgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaa
    naaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygata
    glqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednv
    mltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipy
    tkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattlt
    agnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetld
    tdidqtledelkysisainntvrsyrn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3v4xB (B:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4xB (B:)
    tgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaan
    aaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygatag
    lqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednvm
    ltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipyt
    kmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattlta
    gnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetldt
    didqtledelkysisainntvrsyrn
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3v4xC (C:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4xC (C:)
    tgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaan
    aaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygatag
    lqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednvm
    ltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipyt
    kmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattlta
    gnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetldt
    didqtledelkysisainntvrsyrn
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3v4xD (D:)
    gstgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfa
    anaaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygat
    aglqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkedn
    vmltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhip
    ytkmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattl
    tagnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetl
    dtdidqtledelkysisainntvrsyrn
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v4xD (D:)
    tgsmtigidkisffvppyyidmtalaearnvdpgkfhigigqdqmavnpisqdivtfaan
    aaeailtkedkeaidmvivgtessideskaaavvlhrlmgiqpfarsfeikeacygatag
    lqlaknhvalhpdkkvlvvaadiakyglnsggeptqgagavamlvsseprilalkednvm
    ltqdiydfwrptghpypmvdgplsnetyiqsfaqvwdehkkrtgldfadydalafhipyt
    kmgkkallakisdqteaeqerilaryeesiiysrrvgnlytgslylglisllenattlta
    gnqiglfsygsgavaefftgelvagyqnhlqkethlalldnrtelsiaeyeamfaetldt
    didqtledelkysisainntvrsyrn