3INM

Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	425	48135.7	3	UniProt (O75874) Pfam (PF00180)	Homo sapiens (human)	IDH, Cytosolic NADP-isocitrate dehydrogenase, Oxalosuccinate decarboxylase, NADP(+)-specific ICDH, IDP
2	D, J, N (A, B, C)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	3	Chemie (NDP)
3	E, K, O (A, B, C)	2-OXOGLUTARIC ACID	non-polymer		146.1	3	Chemie (AKG)
4	F, L, P (A, B, C)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
5	G, M, Q (A, B, C)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
6	H, I, R (A, C)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
7	S, T, U (A, B, C)	water	water		18.0	301	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His 132	Arg 132	engineered mutation
Ser 415	-	expression tag
Leu 416	-	expression tag
Glu 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
His 425	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	144407.1
Non-Polymers*	Number of molecules	15
	Total formula weight	3140.0
All*	Total formula weight	147547.1

*Water molecules are not included.