PDB entry 3t42

View 3t42 on RCSB PDB site
Description: Human aldose reductase in complex with a nitrile-containing IDD inhibitor
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Tim Barrel, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2011-07-25, released 2011-10-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-10-05, with a file datestamp of 2011-09-30.
Experiment type: XRAY
Resolution: 1.28 Å
R-factor: 0.152
AEROSPACI score: 0.78 (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 (3-318)
      • conflict (7)
    Domains in SCOPe 2.08: d3t42a_
  • Heterogens: NAP, 3T4, CIT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3t42A (A:)
gshmasrillnngakmpilglgtwksppgqvteavkvaidvgyrhidcahvyqnenevgv
aiqeklreqvvkreelfivsklwctyhekglvkgacqktlsdlkldyldlylihwptgfk
pgkeffpldesgnvvpsdtnildtwaameelvdeglvkaigisnfnhlqvemilnkpglk
ykpavnqiechpyltqekliqycqskgivvtaysplgspdrpwakpedpslledprikai
aakhnkttaqvlirfpmqrnlvvipksvtperiaenfkvfdfelssqdmttllsynrnwr
vcallsctshkdypfheef

    Sequence, based on observed residues (ATOM records): (download) 
    >3t42A (A:)
masrillnngakmpilglgtwksppgqvteavkvaidvgyrhidcahvyqnenevgvaiq
eklreqvvkreelfivsklwctyhekglvkgacqktlsdlkldyldlylihwptgfkpgk
effpldesgnvvpsdtnildtwaameelvdeglvkaigisnfnhlqvemilnkpglkykp
avnqiechpyltqekliqycqskgivvtaysplgspdrpwakpedpslledprikaiaak
hnkttaqvlirfpmqrnlvvipksvtperiaenfkvfdfelssqdmttllsynrnwrvca
llsctshkdypfheef