PDB entry 3pje

View 3pje on RCSB PDB site
Description: Structure of ENR G93S mutant-NAD+-triclosan complex
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: ANTIBIOTIC RESISTANCE, FATTY ACID BIOSYNTHESIS, INNER MEMBRANE, LIPID SYNTHESIS, MEMBRANE, NAD, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2010-11-10, released 2011-04-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-04-20, with a file datestamp of 2011-04-15.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.22
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Escherichia coli [TaxId:83333]
    Gene: ENVM, fabI
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0AEK4
      • engineered mutation (92)
    Domains in SCOPe 2.06: d3pjea_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Escherichia coli [TaxId:83333]
    Gene: ENVM, fabI
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0AEK4
      • engineered mutation (92)
    Domains in SCOPe 2.06: d3pjeb_
  • Heterogens: NAD, TCL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3pjeA (A:)
    mgflsgkrilvtgvasklsiaygiaqamhregaelaftyqndklkgrveefaaqlgsdiv
    lqcdvaedasidtmfaelgkvwpkfdgfvhsisfapgdqldgdyvnavtregfkiahdis
    sysfvamakacrsmlnpgsalltlsylgaeraipnynvmglakasleanvrymanamgpe
    gvrvnaisagpirtlaasgikdfrkmlahceavtpirrtvtiedvgnsaaflcsdlsagi
    sgevvhvdggfsiaamnelelklehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pjeA (A:)
    gflsgkrilvtgvasklsiaygiaqamhregaelaftyqndklkgrveefaaqlgsdivl
    qcdvaedasidtmfaelgkvwpkfdgfvhsisfapgdqldgdyvnavtregfkiahdiss
    ysfvamakacrsmlnpgsalltlsylgaeraipnynvmglakasleanvrymanamgpeg
    vrvnaisagpirtlaasgikdfrkmlahceavtpirrtvtiedvgnsaaflcsdlsagis
    gevvhvdggfsiaamne
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3pjeB (B:)
    mgflsgkrilvtgvasklsiaygiaqamhregaelaftyqndklkgrveefaaqlgsdiv
    lqcdvaedasidtmfaelgkvwpkfdgfvhsisfapgdqldgdyvnavtregfkiahdis
    sysfvamakacrsmlnpgsalltlsylgaeraipnynvmglakasleanvrymanamgpe
    gvrvnaisagpirtlaasgikdfrkmlahceavtpirrtvtiedvgnsaaflcsdlsagi
    sgevvhvdggfsiaamnelelklehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3pjeB (B:)
    gflsgkrilvtgvasklsiaygiaqamhregaelaftyqndklkgrveefaaqlgsdivl
    qcdvaedasidtmfaelgkvwpkfdgfvhsisfapgdqldgdyvnavtregfkiahdiss
    ysfvamakacrsmlnpgsalltlsylgaeraipnynvmglakasleanvrymanamgpeg
    vrvnaisagpirtlaasgikdfrkmlahceavtpirrtvtiedvgnsaaflcsdlsagis
    gevvhvdggfsiaamne