PDB entry 6gxk

View 6gxk on RCSB PDB site
Description: Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor.
Class: oxidoreductase
Keywords: aldo-keto reductase 1C3, AKR1C3, 17betaHSD5, Prostate cancer, CRPC, bioisosterism, scaffold hopping, inhibitors, oxidoreductase
Deposited on 2018-06-27, released 2019-05-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-11-20, with a file datestamp of 2019-11-15.
Experiment type: XRAY
Resolution: 1.7000000000000002 Å
R-factor: N/A
AEROSPACI score: 0.41 (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): Domains in SCOPe 2.08: d6gxka_
  • 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): Domains in SCOPe 2.08: d6gxkb_
  • Heterogens: NAP, FFW, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6gxkA (A:)
    mdskqqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeq
    vglairskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspm
    slkpgeelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkp
    glkykpvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpv
    lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgld
    rnlhyfnsdsfashpnypysdey
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gxkA (A:)
    qcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeqvglai
    rskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspmslkpg
    eelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkpglkyk
    pvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpvlcala
    kkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgldrnlhy
    fnsdsfashpnypysdey
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6gxkB (B:)
    mdskqqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeq
    vglairskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspm
    slkpgeelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkp
    glkykpvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpv
    lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgld
    rnlhyfnsdsfashpnypysdey
    

    Sequence, based on observed residues (ATOM records): (download)
    >6gxkB (B:)
    qcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeqvglai
    rskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspmslkpg
    eelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkpglkyk
    pvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpvlcala
    kkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgldrnlhy
    fnsdsfashpnypysdey