PDB entry 4dds

View 4dds on RCSB PDB site
Description: CTX-M-9 class A beta-lactamase complexed with compound 11
Class: Hydrolase/hydrolase inhibitor
Keywords: CTX-M, 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: 1.36 Å
R-factor: 0.158
AEROSPACI score: 0.75 (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: d4ddsa_
  • 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: d4ddsb_
  • Heterogens: 0J7, DMS, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4ddsA (A:)
    avqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqsetqk
    qllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpggv
    tafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqraqlv
    twlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftqpqq
    naesrrdvlasaariiaegl
    

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

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