6Q6F

Crystal structure of IDH1 R132H in complex with HMS101

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	414	46701.2	2	UniProt (O75874) Pfam (PF00180)	Homo sapiens (Human)	IDH,Cytosolic NADP-isocitrate dehydrogenase,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	C, D (A, B)	(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine	non-polymer		305.4	2	Chemie (HJQ)

Sequence modifications

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

PDB	External Database	Details
His 132	Arg 132	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93402.4
Non-Polymers*	Number of molecules	2
	Total formula weight	610.9
All*	Total formula weight	94013.2

*Water molecules are not included.