8VH9

Crystal Structure of Human IDH1 R132Q in complex with NADPH

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	430	48500.1	2	UniProt (O75874) Pfam (PF00180)	Homo sapiens (human)	IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	C, D, E, H, I (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
3	F, J (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
4	G (B)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
5	K, L (A, B)	water	water		18.0	343	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Gln 132	Arg 132	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97000.2
Non-Polymers*	Number of molecules	8
	Total formula weight	2143.4
All*	Total formula weight	99143.7

*Water molecules are not included.