8T7O

Crystal structure of the R132H mutant of IDH1 bound to AG-120

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	424	48048.6	2	UniProt (O75874) In PDB	Homo sapiens (human)	IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A	ivosidenib	non-polymer		583.0	1	Chemie (IV3)
4		water	water		18.0	156	Chemie (HOH)

Sequence modifications

A, B: 1 - 414 (UniProt: O75874)

PDB	External Database	Details
His 132	Arg 132	variant
Leu 415	-	expression tag
Glu 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96097.2
Non-Polymers*	Number of molecules	3
	Total formula weight	2069.8
All*	Total formula weight	98167.0

*Water molecules are not included.