3MAS

Crystal structure of heterodimeric R132H mutant of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP and isocitrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	422	47772.3	1	UniProt (O75874) Pfam (PF00180)	Homo sapiens (human)	IDH, Cytosolic NADP-isocitrate dehydrogenase, Oxalosuccinate decarboxylase, NADP(+)-specific ICDH, IDP
2	B (B)	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	419	47237.8	1	UniProt (O75874) Pfam (PF00180)	Homo sapiens (human)	IDH, Cytosolic NADP-isocitrate dehydrogenase, Oxalosuccinate decarboxylase, NADP(+)-specific ICDH, IDP
3	C, E (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010)
4	D, F (A, B)	ISOCITRIC ACID	non-polymer		192.1	2	Chemie (ICT)

Sequence modifications

A: 1 - 414 (UniProt: O75874)

PDB	External Database	Details
His 132	Arg 132	engineered mutation
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

B: 1 - 414 (UniProt: O75874)

PDB	External Database	Details
Gly -4	-	expression tag
Ser -3	-	expression tag
Pro -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95010.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1871.1
All*	Total formula weight	96881.1

*Water molecules are not included.