8VHD

Crystal Structure of Human IDH1 R132Q in complex with NADPH 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, B, C, D	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	430	48500.1	4	UniProt (O75874) Pfam (PF00180) In PDB	Homo sapiens (human)	IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	A, B, C, D	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
3	A, B, C, D	IODIDE ION	non-polymer		126.9	4	Chemie (IOD)
4	A, B, C, D	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	B, C, D	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
6	C	ISOCITRIC ACID	non-polymer		192.1	1	Chemie (ICT)
7		water	water		18.0	801	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	194000.5
Non-Polymers*	Number of molecules	17
	Total formula weight	4202.0
All*	Total formula weight	198202.5

*Water molecules are not included.