PDB entry 6ibs

View 6ibs on RCSB PDB site
Description: Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6
Class: hydrolase
Keywords: beta-lactamase; bacterial resistance; acyclic boronic inhibitors, HYDROLASE
Deposited on 2018-11-30, released 2019-04-24
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-04-24, with a file datestamp of 2019-04-19.
Experiment type: XRAY
Resolution: 1.37 Å
R-factor: N/A
AEROSPACI score: 0.55 (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 2.07: d6ibsa_
  • 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 2.07: d6ibsb_
  • Heterogens: ZN, HB8, CA, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >6ibsA (A:)
gdqrfgdlvfrqlapnvwqhtsyldgavasnglivrdggrvlvvdtawtddqtaqilnwi
kqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhsltfaa
ngwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlgdad
tehyaasarafgaafpkasmivmshsapdsraaithtarmadklr

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

    Sequence, based on observed residues (ATOM records): (download) 
    >6ibsB (B:)
etgdqrfgdlvfrqlapnvwqhtsyldmgavasnglivrdggrvlvvdtawtddqtaqil
nwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhslt
faangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlg
dadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklr