PDB entry 4de1

View 4de1 on RCSB PDB site
Description: CTX-M-9 class A beta-lactamase complexed with compound 18
Class: Hydrolase/hydrolase inhibitor
Keywords: CTX-M, beta-lactamase, molecular docking, fragment, Hydrolase-hydrolase inhibitor complex
Deposited on 2012-01-19, released 2012-03-28
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-03-28, with a file datestamp of 2012-03-23.
Experiment type: XRAY
Resolution: 1.26 Å
R-factor: 0.125
AEROSPACI score: 0.84 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-lactamase
    Species: Escherichia coli [TaxId:562]
    Gene: blaCTX-M-9, blaCTX-M-9a, blaCTX-M-9b, CTX-M
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4de1a_
  • Chain 'B':
    Compound: Beta-lactamase
    Species: Escherichia coli [TaxId:562]
    Gene: blaCTX-M-9, blaCTX-M-9a, blaCTX-M-9b, CTX-M
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4de1b_
  • Heterogens: 0J6, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4de1A (A:)
    etsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
    tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
    ggvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqra
    qlvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftq
    pqqnaesrrdvlasaariiaegl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4de1B (B:)
    etsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
    tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
    ggvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqra
    qlvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftq
    pqqnaesrrdvlasaariiaegl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4de1B (B:)
    savqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqsetq
    kqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpgg
    vtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqraql
    vtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftqpq
    qnaesrrdvlasaariiaegl