Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
C81 (4r)-4-[(1s)-1-fluoroethyl]-3-[2-({(1s)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
FLC Citrate anion
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
Code : 6B0Z
Header : OXIDOREDUCTASE
Title : IDH1 R132H mutant in complex with IDH305
Release Data : 2017-11-08
Compound :
mol_id molecule chains synonym
1 Isocitrate dehydrogenase [NADP] cytoplasmic A,C,B,D IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
ec: 1.1.1.42
mutation: R132H
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: IDH1, PICD
Authors : Xie, X., Kulathila, R.
Keywords : Isocitrate dehydrogenase, Rossmann fold, NADPH, inhibitor, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.3340 Å )
Citation :

Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor.

Cho, Y.S.,Levell, J.R.,Liu, G.  et al.
(2017)  ACS Med Chem Lett  8 : 1116 - 1121

PubMed: 29057061
DOI: 10.1021/acsmedchemlett.7b00342

Chain : A, C, B, D
UniProt : O75874 (IDHC_HUMAN)
Reaction : Isocitrate + NADP(+) = 2-oxoglutarate + CO(2) + NADPH.