PDB entry 4exs

View 4exs on RCSB PDB site
Description: Crystal structure of NDM-1 bound to L-captopril
Class: Hydrolase/antibiotic
Keywords: Metallo-Beta-Lactamase, antibiotic, Hydrolase-antibiotic complex
Deposited on 2012-04-30, released 2012-08-08
The last revision prior to the SCOPe 2.05 freeze date was dated 2012-08-15, with a file datestamp of 2012-08-10.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.193
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Beta-lactamase NDM-1
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed):
    • Uniprot C7C422 (Start-269)
      • expression tag (270-271)
    Domains in SCOPe 2.05: d4exsa_
  • Chain 'B':
    Compound: Beta-lactamase NDM-1
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed):
    • Uniprot C7C422 (Start-269)
      • expression tag (270-271)
    Domains in SCOPe 2.05: d4exsb_
  • Heterogens: X8Z, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4exsA (A:)
melpnimhpvaklstalaaalmlsgcmpgeirptigqqmetgdqrfgdlvfrqlapnvwq
htsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqilnwikqeinlpvalavvth
ahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsltfaangwvepatapnfgpl
kvfypgpghtsdnitvgidgtdiafggclikdskakslgnlgdadtehyaasarafgaaf
pkasmivmshsapdsraaithtarmadklrlv

    Sequence, based on observed residues (ATOM records): (download) 
    >4exsA (A:)
tigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtaw
tddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqeg
mvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikds
kakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklrlv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4exsB (B:)
melpnimhpvaklstalaaalmlsgcmpgeirptigqqmetgdqrfgdlvfrqlapnvwq
htsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqilnwikqeinlpvalavvth
ahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsltfaangwvepatapnfgpl
kvfypgpghtsdnitvgidgtdiafggclikdskakslgnlgdadtehyaasarafgaaf
pkasmivmshsapdsraaithtarmadklrlv

    Sequence, based on observed residues (ATOM records): (download) 
    >4exsB (B:)
gdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqi
lnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsl
tfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnl
gdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklrlv