PDB entry 3ixb

View 3ixb on RCSB PDB site
Description: X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase complexed with benzo(b)thiophene-2-boronic acid (BZB) at 1.63 Angstrom resolution
Class: hydrolase
Keywords: serine hydrolase, beta-lactamase, cephalosporinase, extended-spectrum antibiotic resistance, Antibiotic resistance, Hydrolase, Periplasm
Deposited on 2009-09-03, released 2010-02-16
The last revision prior to the SCOPe 2.08 freeze date was dated 2010-02-16, with a file datestamp of 2010-02-12.
Experiment type: XRAY
Resolution: 1.63 Å
R-factor: 0.178
AEROSPACI score: 0.58 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-lactamase
    Species: Escherichia coli [TaxId:83333]
    Gene: ampA, ampC, b4150, JW4111
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00811 (0-357)
      • engineered (215)
    Domains in SCOPe 2.08: d3ixba_
  • Chain 'B':
    Compound: Beta-lactamase
    Species: Escherichia coli [TaxId:83333]
    Gene: ampA, ampC, b4150, JW4111
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00811 (0-357)
      • engineered (215)
    Domains in SCOPe 2.08: d3ixbb_
  • Heterogens: PO4, BZB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ixbA (A:)
apqqindivhrtitplieqqkipgmavaviyqgkpyyftwgyadiakkqpvtqqtlfelg
svsktftgvlggdaiargeiklsdpttkywpeltakqwngitllhlatytagglplqvpd
evksssdllrfyqnwqpawapgtqrlyanssiglfgalavkpsglsfeqamqtrvfqplk
lnhtwinvppaeeknyawgyregkavhvspgaldakaygvkstiedmarwvqsnlkpldi
nektlqqgiqlaqsrywqtgdmyqglgwemldwpvnpdsiingsdnkialaarpvkaitp
ptpavraswvhktgatggfgsyvafipekelgivmlanknypnparvdaawqilnalq

    Sequence, based on observed residues (ATOM records): (download) 
    >3ixbA (A:)
apqqindivhrtitplieqqkipgmavaviyqgkpyyftwgyadiakkqpvtqqtlfelg
svsktftgvlggdaiargeiklsdpttkywpeltakqwngitllhlatytagglplqvpd
evksssdllrfyqnwqpawapgtqrlyanssiglfgalavkpsglsfeqamqtrvfqplk
lnhtwinvppaeeknyawgyregkavhvspgaldakaygvkstiedmarwvqsnlkpldi
nektlqqgiqlaqsrywqtgdmyqglgwemldwpvnpdsiiialaarpvkaitpptpavr
aswvhktgatggfgsyvafipekelgivmlanknypnparvdaawqilnalq

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3ixbB (B:)
apqqindivhrtitplieqqkipgmavaviyqgkpyyftwgyadiakkqpvtqqtlfelg
svsktftgvlggdaiargeiklsdpttkywpeltakqwngitllhlatytagglplqvpd
evksssdllrfyqnwqpawapgtqrlyanssiglfgalavkpsglsfeqamqtrvfqplk
lnhtwinvppaeeknyawgyregkavhvspgaldakaygvkstiedmarwvqsnlkpldi
nektlqqgiqlaqsrywqtgdmyqglgwemldwpvnpdsiingsdnkialaarpvkaitp
ptpavraswvhktgatggfgsyvafipekelgivmlanknypnparvdaawqilnalq