PDB entry 4puw

View 4puw on RCSB PDB site
Description: Human Aldose Reductase complexed with a ligand with an IDD structure (2-[5-fluoro-2-(prop-2-ynylcarbamoyl)phenoxy]acetic acid) at 1.12 A
Class: Oxidoreductase/Oxidoreductase inhibitor
Keywords: Tim Barrel, Oxidoreductase-Oxidoreductase inhibitor complex
Deposited on 2014-03-14, released 2015-04-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-04-08, with a file datestamp of 2015-04-03.
Experiment type: XRAY
Resolution: 1.12 Å
R-factor: N/A
AEROSPACI score: 0.72 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldose reductase
    Species: Homo sapiens [TaxId:9606]
    Gene: AKR1B1, ALDR1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15121 (0-315)
      • see remark 999 (4)
    Domains in SCOPe 2.08: d4puwa_
  • Heterogens: 2WQ, CIT, NAP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4puwA (A:)
masrillnngakmpilglgtwksppgqvteavkvaidvgyrhidcahvyqnenevgvaiq
eklreqvvkreelfivsklwctyhekglvkgacqktlsdlkldyldlylihwptgfkpgk
effpldesgnvvpsdtnildtwaameelvdeglvkaigisnfnhlqvemilnkpglkykp
avnqiechpyltqekliqycqskgivvtaysplgspdrpwakpedpslledprikaiaak
hnkttaqvlirfpmqrnlvvipksvtperiaenfkvfdfelssqdmttllsynrnwrvca
llsctshkdypfheef