6VFZ

Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.

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], mitochondrial	polymer	458	51783.0	2	UniProt (P48735) Pfam (PF00180) In PDB	Homo sapiens (Human)	IDH,ICD-M,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	A	6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine	non-polymer		414.7	1	Chemie (9UO)
3	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
4	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6		water	water		18.0	616	Chemie (HOH)

Sequence modifications

A, B: 1 - 452 (UniProt: P48735)

PDB	External Database	Details
Gln 140	Arg 140	engineered mutation
His 453	-	expression tag
His 454	-	expression tag
His 455	-	expression tag
His 456	-	expression tag
His 457	-	expression tag
His 458	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	103566.0
Non-Polymers*	Number of molecules	7
	Total formula weight	2031.7
All*	Total formula weight	105597.7

*Water molecules are not included.