PDB entry 3spu

View 3spu on RCSB PDB site
Description: apo NDM-1 Crystal Structure
Class: hydrolase
Keywords: alpha beta/beta alpha sandwich, Hydrolase, beta lactam antibiotics, periplasmic space
Deposited on 2011-07-03, released 2011-08-03
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-09-14, with a file datestamp of 2011-09-09.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.218
AEROSPACI score: 0.38 (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-243)
      • expression tag (244-247)
    Domains in SCOPe 2.05: d3spua_
  • 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 2.05: d3spub_
  • 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-243)
      • expression tag (244-247)
    Domains in SCOPe 2.05: d3spuc_
  • 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-243)
      • expression tag (244-246)
    Domains in SCOPe 2.05: d3spud_
  • Chain 'E':
    Compound: Beta-lactamase NDM-1
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: blaNDM-1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3spue_
  • Heterogens: ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3spuA (A:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklrklvprgsaaaalehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3spuA (A:)
dqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqil
nwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhslt
faangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlg
dadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklrklvp

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3spuB (B:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklrklvprgsaaaalehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3spuB (B:)
irptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvd
tawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlap
qegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggcli
kdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarmadk

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3spuC (C:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklrklvprgsaaaalehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3spuC (C:)
dqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqil
nwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhslt
faangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlg
dadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklrklvp

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3spuD (D:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklrklvprgsaaaalehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3spuD (D:)
dqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqil
nwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhslt
faangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlg
dadtehyaasarafgaafpkasmivmshsapdsraaithtarmadklrklv

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3spuE (E:)
mpgeirptigqqmetgdqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrv
lvvdtawtddqtaqilnwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsn
qlapqegmvaaqhsltfaangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafg
gclikdskakslgnlgdadtehyaasarafgaafpkasmivmshsapdsraaithtarma
dklrklvprgsaaaalehhhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3spuE (E:)
dqrfgdlvfrqlapnvwqhtsyldmpgfgavasnglivrdggrvlvvdtawtddqtaqil
nwikqeinlpvalavvthahqdkmggmdalhaagiatyanalsnqlapqegmvaaqhslt
faangwvepatapnfgplkvfypgpghtsdnitvgidgtdiafggclikdskakslgnlg
dadtehyaasarafgaafpkasmivmshsapdsraaithtarmadkl