PDB entry 6u4j

View 6u4j on RCSB PDB site
Description: Crystal structure of IDH1 R132H mutant in complex with FT-2102
Class: Oxidoreductase/Inhibitor
Keywords: IDH1, allosteric inhibitor, Oxidoreductase, Inhibitor complex, Oxidoreductase-Inhibitor complex
Deposited on 2019-08-25, released 2020-03-04
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-03-11, with a file datestamp of 2020-03-06.
Experiment type: XRAY
Resolution: 2.11 Å
R-factor: N/A
AEROSPACI score: 0.28 (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)
      • engineered mutation (131)
      • expression tag (414-416)
    Domains in SCOPe 2.08: d6u4ja1, d6u4ja2
  • 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)
      • engineered mutation (131)
    Domains in SCOPe 2.08: d6u4jb_
  • Heterogens: PWV, NAP, CL, FLC, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6u4jA (A:)
mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
vsgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
hhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6u4jA (A:)
kkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaae
aikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlvs
gwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamgm
ynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfeaq
kiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgkt
veaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanaleev
sietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklsle

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6u4jB (B:)
mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
vsgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
hhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6u4jB (B:)
kkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaae
aikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlvs
gwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamgm
ynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfeaq
kiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgkt
veaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanaleev
sietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqakl