PDB entry 6bkx

View 6bkx on RCSB PDB site
Description: Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1
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: 1.65 Å
R-factor: N/A
AEROSPACI score: 0.42 (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):
    • Uniprot O75874 (Start-413)
      • expression tag (414-415)
    Domains in SCOPe 2.07: d6bkxa1, d6bkxa2
  • Chain 'B':
    Compound: isocitrate dehydrogenase [nadp] cytoplasmic
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH1, PICD
    Database cross-references and differences (RAF-indexed):
    • Uniprot O75874 (Start-413)
      • expression tag (414-417)
    Domains in SCOPe 2.07: d6bkxb1, d6bkxb2
  • Chain 'C':
    Compound: isocitrate dehydrogenase [nadp] cytoplasmic
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH1, PICD
    Database cross-references and differences (RAF-indexed):
    • Uniprot O75874 (Start-413)
      • expression tag (414-418)
    Domains in SCOPe 2.07: d6bkxc1, d6bkxc2
  • Heterogens: DWP, CA, ICT, HOH

PDB Chain Sequences:

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download)
    >6bkxC (C:)
    kkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaae
    aikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlvs
    gwvkpiiigrhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamgm
    ynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfeaq
    kiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgkt
    veaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanaleev
    sietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehh