PDB entry 3g31

View 3g31 on RCSB PDB site
Description: CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
Class: hydrolase/hydrolase inhibitor
Keywords: CTX-M, beta-lactamase, molecular docking, fragment, inhibitor, Antibiotic resistance, Hydrolase, Plasmid, HYDROLASE/HYDROLASE INHIBITOR COMPLEX
Deposited on 2009-02-01, released 2009-03-24
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-05-05, with a file datestamp of 2009-05-01.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.17
AEROSPACI score: 0.57 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-lactamase CTX-M-9a
    Species: Escherichia coli [TaxId:562]
    Gene: blaCTX-M-9, blaCTX-M-9a, CTX-M
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g31a_
  • Chain 'B':
    Compound: Beta-lactamase CTX-M-9a
    Species: Escherichia coli [TaxId:562]
    Gene: blaCTX-M-9, blaCTX-M-9a, CTX-M
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3g31b_
  • Heterogens: GF1, PO4, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3g31A (A:)
    qtsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
    tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
    ggvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqra
    qlvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftq
    pqqnaesrrdvlasaariiaegl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g31A (A:)
    tsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqset
    qkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpg
    gvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqraq
    lvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftqp
    qqnaesrrdvlasaariiaegl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3g31B (B:)
    qtsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
    tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
    ggvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqra
    qlvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftq
    pqqnaesrrdvlasaariiaegl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3g31B (B:)
    savqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqsetq
    kqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpgg
    vtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqraql
    vtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftqpq
    qnaesrrdvlasaariiaegl