PDB entry 4ddy

View 4ddy on RCSB PDB site
Description: CTX-M-9 class A beta-lactamase complexed with compound 10
Class: Hydrolase/hydrolase inhibitor
Keywords: CTX-M, molecular docking, fragment, inhibitor, Hydrolase-hydrolase inhibitor complex
Deposited on 2012-01-19, released 2012-03-28
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-03-28, with a file datestamp of 2012-03-23.
Experiment type: XRAY
Resolution: 1.36 Å
R-factor: 0.172
AEROSPACI score: 0.73 (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 2.04: d4ddya_
  • 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 2.04: d4ddyb_
  • Heterogens: DN6, DMS, HOH

PDB Chain Sequences:

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

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

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

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