PDB entry 4wrh

View 4wrh on RCSB PDB site
Description: AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: oxidoreductase, inhibitor, complex, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2014-10-24, released 2014-11-05
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-11-05, with a file datestamp of 2014-10-31.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.171
AEROSPACI score: 0.53 (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 2.07: d4wrha_
  • Heterogens: NAP, YY2, YY1, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4wrhA (A:)
mdskhqcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeq
vglairskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspm
slkpgeelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkp
glkykpvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpv
lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgld
rnlhyfnsdsfashpnypysdeylehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4wrhA (A:)
qcvklndghfmpvlgfgtyappevprskalevtklaieagfrhidsahlynneeqvglai
rskiadgsvkredifytsklwstfhrpelvrpalenslkkaqldyvdlylihspmslkpg
eelsptdengkvifdivdlcttweamekckdaglaksigvsnfnrrqlemilnkpglkyk
pvcnqvechpyfnrsklldfckskdivlvaysalgsqrdkrwvdpnspvlledpvlcala
kkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltaedmkaidgldrnlhy
fnsdsfashpnypysd