PDB entry 6bkz

View 6bkz on RCSB PDB site
Description: Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: dehydrogenase, inhibitor, OXIDOREDUCTASE, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2017-11-09, released 2018-07-25
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-07-25, with a file datestamp of 2018-07-20.
Experiment type: XRAY
Resolution: 2.01 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: isocitrate dehydrogenase [nadp] cytoplasmic
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH1, PICD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bkza_
  • Chain 'B':
    Compound: isocitrate dehydrogenase [nadp] cytoplasmic
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH1, PICD
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6bkzb_
  • Heterogens: DWM, NAP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6bkzA (A:)
    mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
    aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
    vsgwvkpiiigrhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
    gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
    aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
    ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
    evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
    hhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bkzA (A:)
    kkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaae
    aikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlvs
    gwvkpiiigrhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamgm
    ynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfeaq
    kiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgkt
    veaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanaleev
    sietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqakl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6bkzB (B:)
    mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
    aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
    vsgwvkpiiigrhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
    gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
    aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
    ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
    evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
    hhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6bkzB (B:)
    kkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaae
    aikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlvs
    gwvkpiiigrhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamgm
    ynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfeaq
    kiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgkt
    veaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanaleev
    sietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqakl