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 2.06 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):
Domains in SCOPe 2.06: d4exsa1, d4exsa2 - Chain 'B':
Compound: Beta-lactamase NDM-1
Species: Klebsiella pneumoniae [TaxId:573]
Gene: blaNDM-1
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.06: d4exsb1, d4exsb2 - 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