PDB entry 4xxr

View 4xxr on RCSB PDB site
Description: Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 E166A Beta-Lactamase
Class: hydrolase/antibiotic
Keywords: Beta-Lactamase Organometallic Ruthenocene CTX-M-14, HYDROLASE-ANTIBIOTIC complex
Deposited on 2015-01-30, released 2015-03-18
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-04-08, with a file datestamp of 2015-04-03.
Experiment type: XRAY
Resolution: 1.18 Å
R-factor: N/A
AEROSPACI score: 0.67 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: CTX-M-14 Class A Beta-Lactamase
    Species: Escherichia coli [TaxId:562]
    Gene: blaCTX-M-14, beta-lactamase CTX-M-14, bla-CTX-M-14a, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blatoho-3, blaUOE-2, CTX-M-14, ETN48_p0088, pCT_085, pHK01_011
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L5C7 (Start-262)
      • engineered mutation (140)
    Domains in SCOPe 2.06: d4xxra_
  • Chain 'B':
    Compound: CTX-M-14 Class A Beta-Lactamase
    Species: Escherichia coli [TaxId:562]
    Gene: blaCTX-M-14, beta-lactamase CTX-M-14, bla-CTX-M-14a, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blatoho-3, blaUOE-2, CTX-M-14, ETN48_p0088, pCT_085, pHK01_011
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q9L5C7 (Start-262)
      • engineered mutation (140)
    Domains in SCOPe 2.06: d4xxrb_
  • Heterogens: K, JSD, JSC, JSE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4xxrA (A:)
    qtsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
    tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
    ggvtafaraigdetfrldrtaptlntaipgdprdtttpramaqtlrqltlghalgetqra
    qlvtwlkgnttgaasiraglptswtvgdktgsgdygttndiaviwpqgraplvlvtyftq
    pqqnaesrrdvlasaariiaegl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4xxrA (A:)
    tsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqset
    qkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpg
    gvtafaraigdetfrldrtaptlntaipgdprdtttpramaqtlrqltlghalgetqraq
    lvtwlkgnttgaasiraglptswtvgdktgsgdygttndiaviwpqgraplvlvtyftqp
    qqnaesrrdvlasaariiaegl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4xxrB (B:)
    qtsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
    tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
    ggvtafaraigdetfrldrtaptlntaipgdprdtttpramaqtlrqltlghalgetqra
    qlvtwlkgnttgaasiraglptswtvgdktgsgdygttndiaviwpqgraplvlvtyftq
    pqqnaesrrdvlasaariiaegl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4xxrB (B:)
    avqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqsetqk
    qllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpggv
    tafaraigdetfrldrtaptlntaipgdprdtttpramaqtlrqltlghalgetqraqlv
    twlkgnttgaasiraglptswtvgdktgsgdygttndiaviwpqgraplvlvtyftqpqq
    naesrrdvlasaariiaegl