PDB entry 4raw

View 4raw on RCSB PDB site
Description: Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin
Class: hydrolase/antibiotic
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 sandwich, hydrolase, HYDROLASE-ANTIBIOTIC complex
Deposited on 2014-09-11, released 2014-11-26
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-11-26, with a file datestamp of 2014-11-21.
Experiment type: XRAY
Resolution: 1.3 Å
R-factor: 0.131
AEROSPACI score: 0.71 (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 (3-242)
      • expression tag (2)
      • engineered mutation (39)
    Domains in SCOPe 2.08: d4rawa1, d4rawa2
  • Chain 'B':
    Compound: Beta-lactamase NDM-1
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed):
    • Uniprot C7C422 (3-242)
      • expression tag (2)
      • engineered mutation (39)
    Domains in SCOPe 2.08: d4rawb1, d4rawb2
  • Heterogens: ZZ7, CD, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4rawA (A:)
snairptigqqmetgdqrfgdlvfrqlapnvwqhtsyldvpgfgavasnglivrdggrvl
vvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnq
lapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafgg
clikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmad
klr

    Sequence, based on observed residues (ATOM records): (download) 
    >4rawA (A:)
airptigqqmetgdqrfgdlvfrqlapnvwqhtsyldvpgfgavasnglivrdggrvlvv
dtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqla
pqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggcl
ikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadkl
r

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4rawB (B:)
snairptigqqmetgdqrfgdlvfrqlapnvwqhtsyldvpgfgavasnglivrdggrvl
vvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnq
lapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafgg
clikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmad
klr

    Sequence, based on observed residues (ATOM records): (download) 
    >4rawB (B:)
airptigqqmetgdqrfgdlvfrqlapnvwqhtsyldvpgfgavasnglivrdggrvlvv
dtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqla
pqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggcl
ikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadkl
r