PDB entry 4jtr

View 4jtr on RCSB PDB site
Description: AKR1C2 complex with ibuprofen
Class: Oxidoreductase/Oxidoreductase inhibitor
Keywords: oxido-reductase, Oxidoreductase-Oxidoreductase inhibitor complex
Deposited on 2013-03-24, released 2014-04-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-04-02, with a file datestamp of 2014-03-28.
Experiment type: XRAY
Resolution: 1.3 Å
R-factor: 0.141
AEROSPACI score: 0.7 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aldo-keto reductase family 1 member C2
    Species: Homo sapiens [TaxId:9606]
    Gene: AKR1C2, DDH2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4jtra_
  • Chain 'B':
    Compound: Aldo-keto reductase family 1 member C2
    Species: Homo sapiens [TaxId:9606]
    Gene: AKR1C2, DDH2
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4jtrb_
  • Heterogens: IBP, NAP, EDO, IZP, PO4, TLA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4jtrA (A:)
    mdskyqcvklndghfmpvlgfgtyapaevpkskaleavklaieagfhhidsahvynneeq
    vglairskiadgsvkredifytsklwsnshrpelvrpalerslknlqldyvdlylihfpv
    svkpgeevipkdengkilfdtvdlcatweamekckdaglaksigvsnfnhrllemilnkp
    glkykpvcnqvechpyfnqrklldfckskdivlvaysalgshreepwvdpnspvlledpv
    lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltseemkaidgln
    rnvryltldifagppnypfsdeylehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jtrA (A:)
    kyqcvklndghfmpvlgfgtyapaevpkskaleavklaieagfhhidsahvynneeqvgl
    airskiadgsvkredifytsklwsnshrpelvrpalerslknlqldyvdlylihfpvsvk
    pgeevipkdengkilfdtvdlcatweamekckdaglaksigvsnfnhrllemilnkpglk
    ykpvcnqvechpyfnqrklldfckskdivlvaysalgshreepwvdpnspvlledpvlca
    lakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltseemkaidglnrnv
    ryltldifagppnypf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4jtrB (B:)
    mdskyqcvklndghfmpvlgfgtyapaevpkskaleavklaieagfhhidsahvynneeq
    vglairskiadgsvkredifytsklwsnshrpelvrpalerslknlqldyvdlylihfpv
    svkpgeevipkdengkilfdtvdlcatweamekckdaglaksigvsnfnhrllemilnkp
    glkykpvcnqvechpyfnqrklldfckskdivlvaysalgshreepwvdpnspvlledpv
    lcalakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltseemkaidgln
    rnvryltldifagppnypfsdeylehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4jtrB (B:)
    skyqcvklndghfmpvlgfgtyapaevpkskaleavklaieagfhhidsahvynneeqvg
    lairskiadgsvkredifytsklwsnshrpelvrpalerslknlqldyvdlylihfpvsv
    kpgeevipkdengkilfdtvdlcatweamekckdaglaksigvsnfnhrllemilnkpgl
    kykpvcnqvechpyfnqrklldfckskdivlvaysalgshreepwvdpnspvlledpvlc
    alakkhkrtpalialryqlqrgvvvlaksyneqrirqnvqvfefqltseemkaidglnrn
    vryltldifagppnypf