PDB entry 4gyq

View 4gyq on RCSB PDB site
Description: Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae
Class: hydrolase
Keywords: Structural Genomics, PSI-Biology, Midwest Center for Structural Genomics, MCSG, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors, MTBI, alpha-beta-beta-alpha fold, hydrolase
Deposited on 2012-09-05, released 2012-09-26
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-01-24, with a file datestamp of 2018-01-19.
Experiment type: XRAY
Resolution: 1.35 Å
R-factor: N/A
AEROSPACI score: 0.56 (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-242)
      • engineered mutation (195)
    Domains in SCOPe 2.08: d4gyqa_
  • 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-242)
      • engineered mutation (195)
    Domains in SCOPe 2.08: d4gyqb_
  • Chain 'C':
    Compound: Beta-lactamase NDM-1
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed):
    • Uniprot C7C422 (Start-242)
      • engineered mutation (195)
    Domains in SCOPe 2.08: d4gyqc_
  • Chain 'D':
    Compound: Beta-lactamase NDM-1
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed):
    • Uniprot C7C422 (Start-242)
      • engineered mutation (195)
    Domains in SCOPe 2.08: d4gyqd_
  • Heterogens: EDO, MG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4gyqA (A:)
snairptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvl
vvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnq
lapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafgg
clikdskakslgnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmad
klr

    Sequence, based on observed residues (ATOM records): (download) 
    >4gyqA (A:)
rptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdt
awtddqtaqilnwikqeinlpvalavvthahmggmdalhaagiatyanalsnqlapqegm
vaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdsk
akslgnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4gyqB (B:)
snairptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvl
vvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnq
lapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafgg
clikdskakslgnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmad
klr

    Sequence, based on observed residues (ATOM records): (download) 
    >4gyqB (B:)
metgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqt
aqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaq
hsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskaksl
gnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4gyqC (C:)
snairptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvl
vvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnq
lapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafgg
clikdskakslgnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmad
klr

    Sequence, based on observed residues (ATOM records): (download) 
    >4gyqC (C:)
tigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtaw
tddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqeg
mvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikds
kakslgnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4gyqD (D:)
snairptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvl
vvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnq
lapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafgg
clikdskakslgnlgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmad
klr

    Sequence, based on observed residues (ATOM records): (download) 
    >4gyqD (D:)
tgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqtaq
ilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhs
ltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgn
lgaadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr