PDB entry 3bjk

View 3bjk on RCSB PDB site
Description: Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme
Class: hydrolase
Keywords: hotdog fold, Trimer of dimers, HI0827, YciA, Structural Genomics, Structure 2 Function Project, S2F, Hydrolase
Deposited on 2007-12-04, released 2008-02-26
The last revision prior to the SCOPe 2.01 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.172
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Acyl-CoA thioester hydrolase HI0827
    Species: Haemophilus influenzae Rd KW20 [TaxId:71421]
    Gene: HI0827
    Database cross-references and differences (RAF-indexed):
    • Uniprot P44886
      • engineered (42)
    Domains in SCOPe 2.01: d3bjka_
  • Chain 'B':
    Compound: Acyl-CoA thioester hydrolase HI0827
    Species: Haemophilus influenzae Rd KW20 [TaxId:71421]
    Gene: HI0827
    Database cross-references and differences (RAF-indexed):
    • Uniprot P44886
      • engineered (42)
    Domains in SCOPe 2.01: d3bjkb_
  • Chain 'C':
    Compound: Acyl-CoA thioester hydrolase HI0827
    Species: Haemophilus influenzae Rd KW20 [TaxId:71421]
    Gene: HI0827
    Database cross-references and differences (RAF-indexed):
    • Uniprot P44886
      • engineered (42)
    Domains in SCOPe 2.01: d3bjkc_
  • Chain 'D':
    Compound: Acyl-CoA thioester hydrolase HI0827
    Species: Haemophilus influenzae Rd KW20 [TaxId:71421]
    Gene: HI0827
    Database cross-references and differences (RAF-indexed):
    • Uniprot P44886
      • engineered (42)
    Domains in SCOPe 2.01: d3bjkd_
  • Chain 'E':
    Compound: Acyl-CoA thioester hydrolase HI0827
    Species: Haemophilus influenzae Rd KW20 [TaxId:71421]
    Gene: HI0827
    Database cross-references and differences (RAF-indexed):
    • Uniprot P44886
      • engineered (42)
    Domains in SCOPe 2.01: d3bjke_
  • Chain 'F':
    Compound: Acyl-CoA thioester hydrolase HI0827
    Species: Haemophilus influenzae Rd KW20 [TaxId:71421]
    Gene: HI0827
    Database cross-references and differences (RAF-indexed):
    • Uniprot P44886
      • engineered (42)
    Domains in SCOPe 2.01: d3bjkf_
  • Heterogens: CIT, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3bjkA (A:)
    sanftdkngrqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvt
    vavesmnfikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavft
    fvavdnngrsrtiprennqelekalaliseqpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bjkA (A:)
    skgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvtvavesmnfikp
    isvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavftfvavdnngrsr
    tiprennqelekalaliseq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3bjkB (B:)
    sanftdkngrqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvt
    vavesmnfikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavft
    fvavdnngrsrtiprennqelekalaliseqpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bjkB (B:)
    grqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvtvavesmnf
    ikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavftfvavdnng
    rsrtiprennqelekalalise
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3bjkC (C:)
    sanftdkngrqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvt
    vavesmnfikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavft
    fvavdnngrsrtiprennqelekalaliseqpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bjkC (C:)
    grqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvtvavesmnf
    ikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavftfvavdnng
    rsrtiprennqelekalaliseq
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3bjkD (D:)
    sanftdkngrqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvt
    vavesmnfikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavft
    fvavdnngrsrtiprennqelekalaliseqpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bjkD (D:)
    kgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvtvavesmnfikpi
    svgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavftfvavdnngrsrt
    iprennqelekalaliseq
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3bjkE (E:)
    sanftdkngrqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvt
    vavesmnfikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavft
    fvavdnngrsrtiprennqelekalaliseqpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bjkE (E:)
    skgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvtvavesmnfikp
    isvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavftfvavdnngrsr
    tiprennqelekalaliseq
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3bjkF (F:)
    sanftdkngrqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvt
    vavesmnfikpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavft
    fvavdnngrsrtiprennqelekalaliseqpl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bjkF (F:)
    rqskgvlllrtlampsdtnangdifggwimsqmamggailakeiahgrvvtvavesmnfi
    kpisvgdvvccygqclkvgrssikikvevwvkkvasepigerycvtdavftfvavdnngs
    rtiprnqelekalaliseq