5I95

Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid

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], mitochondrial	polymer	424	48130.9	1	UniProt (P48735) Pfam (PF00180)	Homo sapiens (Human)	IDH,ICD-M,IDP,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	B (A)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	1	Chemie (NDP)
3	C (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	D, E, F, G (A)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	H (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	I (A)	2-OXOGLUTARIC ACID	non-polymer		146.1	1	Chemie (AKG)
7	J (A)	water	water		18.0	589	Chemie (HOH)

Sequence modifications

A: 40 - 452 (UniProt: P48735)

PDB	External Database	Details
Met 39	-	initiating methionine
Gln 140	Arg 140	engineered mutation
Leu 453	-	expression tag
Glu 454	-	expression tag
His 455	-	expression tag
His 456	-	expression tag
His 457	-	expression tag
His 458	-	expression tag
His 459	-	expression tag
His 460	-	expression tag
His 461	-	expression tag
His 462	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48130.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1359.0
All*	Total formula weight	49489.9

*Water molecules are not included.