Brand  (β version)

PDB ID: 6VFZ

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Ligands
Code Name Style Show Link
9UO 6-(6-chloropyridin-2-yl)-n2,n4-bis[(2r)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine PoSSuM
CA Calcium ion PoSSuM
NA Sodium ion PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
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Structure summary

Code : 6VFZ   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Title : Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.
Release Data : 2020-02-05
Compound :
mol_id molecule chains synonym
1 Isocitrate dehydrogenase [NADP], mitochondrial A,B IDH,ICD-M,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
ec: 1.1.1.42
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: IDH2
Authors : Padyana, A., Jin, L.
Keywords : IDH, ICD-M, IDP, NADP(+)-SPECIFIC ICDH, OXALOSUCCINATE DECARBOXYLASE, OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.99 Å )
Citation :

Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.

Konteatis, Z.,Artin, E.,Nicolay, B.  et al.
(2020)  Acs Med.Chem.Lett.  11 : 101 - 107

PubMed: 32071674
DOI: 10.1021/acsmedchemlett.9b00509

Reaction

Chain : A, B
UniProt : P48735 (IDHP_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
D-threo-isocitrate + NADP(+) = 2-oxoglutarate + CO2 + NADPH 1.1.1.42 PubMed:22416140, PubMed:19228619
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