PDB entry 6q2y

View 6q2y on RCSB PDB site
Description: Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3
Class: hydrolase
Keywords: beta-lactamase; bacterial resistance; acyclic boronic inhibitors, HYDROLASE
Deposited on 2018-12-03, released 2019-04-24
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-05-01, with a file datestamp of 2019-04-26.
Experiment type: XRAY
Resolution: 1 Å
R-factor: N/A
AEROSPACI score: 0.82 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Metallo-beta-lactamase type 2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6q2ya_
  • Chain 'B':
    Compound: Metallo-beta-lactamase type 2
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6q2yb_
  • Heterogens: ZN, CA, HCQ, EPE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6q2yA (A:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklr

    Sequence, based on observed residues (ATOM records): (download) 
    >6q2yA (A:)
etgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqta
qilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqh
sltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslg
nlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6q2yB (B:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklr

    Sequence, based on observed residues (ATOM records): (download) 
    >6q2yB (B:)
metgdqrfgdlvfrqlapnvwqhtsyldmgavasnglivrdggrvlvvdtawtddqtaqi
lnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsl
tfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnl
gdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr