PDB entry 6vg0

View 6vg0 on RCSB PDB site
Description: CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
Class: OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Keywords: IDH, CYTOSOLIC NADP-ISOCITRATE DEHYDROGENASE, OXALOSUCCINATE DECARBOXYLASE, NADP(+)-SPECIFIC ICDH, IDP, OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex
Deposited on 2020-01-07, released 2020-02-05
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-02-05, with a file datestamp of 2020-01-31.
Experiment type: XRAY
Resolution: 2.66 Å
R-factor: N/A
AEROSPACI score: 0.18 (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)
    Domains in SCOPe 2.07: d6vg0a_
  • 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)
      • expression tag (414-415)
    Domains in SCOPe 2.07: d6vg0b1, d6vg0b2
  • Chain 'C':
    Compound: isocitrate dehydrogenase [nadp] cytoplasmic
    Species: Homo sapiens [TaxId:9606]
    Gene: IDH1, PICD
    Database cross-references and differences (RAF-indexed):
    • Uniprot O75874
      • engineered mutation (131)
    Domains in SCOPe 2.07: d6vg0c_
  • Heterogens: QWM, NDP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6vg0A (A:)
mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
vsgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
hhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vg0A (A:)
skkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaa
eaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlv
sgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamg
mynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfea
qkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgk
tveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanalee
vsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqakl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6vg0B (B:)
mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
vsgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
hhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vg0B (B:)
skkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaa
eaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprlv
sgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamg
mynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfea
qkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgk
tveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanalee
vsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklsl

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6vg0C (C:)
mskkisggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkda
aeaikkhnvgvkcatitpdekrveefklkqmwkspngtirnilggtvfreaiickniprl
vsgwvkpiiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvam
gmynqdksiedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfe
aqkiwyehrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdg
ktveaeaahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanale
evsietieagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaqaklslehhh
hhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6vg0C (C:)
isggsvvemqgdemtriiwelikeklifpyveldlhsydlgienrdatndqvtkdaaeai
kkhnvgvkcatitkrveefklkqmwkspngtirnilggtvfreaiickniprlvsgwvkp
iiighhaygdqyratdfvvpgpgkveitytpsdgtqkvtylvhnfeegggvamgmynqdk
siedfahssfqmalskgwplylstkntilkkydgrfkdifqeiydkqyksqfeaqkiwye
hrliddmvaqamkseggfiwacknydgdvqsdsvaqgygslgmmtsvlvcpdgktveaea
ahgtvtrhyrmyqkgqetstnpiasifawtrglahrakldnnkelaffanaleevsieti
eagfmtkdlaacikglpnvqrsdylntfefmdklgenlkiklaq