PDB entry 4u4l

View 4u4l on RCSB PDB site
Description: Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
Class: hydrolase
Keywords: hydrolase
Deposited on 2014-07-23, released 2014-08-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-08-20, with a file datestamp of 2014-08-15.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.156
AEROSPACI score: 0.44 (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: d4u4la_
  • 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: d4u4lb_
  • Chain 'C':
    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: d4u4lc_
  • Chain 'D':
    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: d4u4ld_
  • Heterogens: ZN, 3C7, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4u4lA (A:)
gpmpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdgg
rvlvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanal
snqlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdia
fggclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtar
madklr

    Sequence, based on observed residues (ATOM records): (download) 
    >4u4lA (A:)
metgdqrfgdlvfrqlapnvwqhtsyldmgavasnglivrdggrvlvvdtawtddqtaqi
lnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsl
tfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnl
gdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4u4lB (B:)
gpmpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdgg
rvlvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanal
snqlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdia
fggclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtar
madklr

    Sequence, based on observed residues (ATOM records): (download) 
    >4u4lB (B:)
etgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqta
qilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqh
sltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslg
nlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4u4lC (C:)
gpmpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdgg
rvlvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanal
snqlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdia
fggclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtar
madklr

    Sequence, based on observed residues (ATOM records): (download) 
    >4u4lC (C:)
dqrfgdlvfrqlapnvwqhtsyldmvasnglivrdggrvlvvdtawtddqtaqilnwikq
einlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsltfaang
wvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlgdadte
hyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4u4lD (D:)
gpmpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdgg
rvlvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanal
snqlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdia
fggclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtar
madklr

    Sequence, based on observed residues (ATOM records): (download) 
    >4u4lD (D:)
tgdqrfgdlvfrqlapnvwqhtsyldvasnglivrdggrvlvvdtawtddqtaqilnwik
qeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsltfaan
gwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlgdadt
ehyaasarafgaafpkasmivmshsapdsraaithtarmadklr