PDB entry 5jm5

View 5jm5 on RCSB PDB site
Description: Crystal structure of AKR1C3 complexed with a pro-drug
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Pro-drug, inhibitor, liver cancer, AKR1C3, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2016-04-28, released 2017-05-03
Made obsolete on 2020-09-02

The last revision prior to the SCOPe 2.07 freeze date was dated 2017-05-03, with a file datestamp of 2017-04-28.
Experiment type: XRAY
Resolution: 1.99 Å
R-factor: N/A
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aldo-keto reductase family 1 member C3
    Species: Homo sapiens [TaxId:9606]
    Gene: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42330
      • engineered mutation (4)
    Domains in SCOPe 2.07: d5jm5a_
  • Chain 'B':
    Compound: Aldo-keto reductase family 1 member C3
    Species: Homo sapiens [TaxId:9606]
    Gene: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42330
      • engineered mutation (4)
    Domains in SCOPe 2.07: d5jm5b_
  • Heterogens: NAP, 6LG, 6NY, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5jm5A (A:)
    mdskqqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeq
    vglairskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspm
    slkpgeelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkp
    glkykpvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpv
    lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgld
    rnlhyfnsdsfashpnypysdeyylehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jm5A (A:)
    kqqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeqvgl
    airskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspmslk
    pgeelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkpglk
    ykpvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpvlca
    lakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgldrnl
    hyfnsdsfashpnypysd
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5jm5B (B:)
    mdskqqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeq
    vglairskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspm
    slkpgeelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkp
    glkykpvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpv
    lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgld
    rnlhyfnsdsfashpnypysdeyylehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jm5B (B:)
    kqqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeqvgl
    airskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspmslk
    pgeelsptkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkpglkykpv
    cnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpvlcalakk
    hkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgldrnlhyfn
    sdsfashpnypy