4UMX

IDH1 R132H in complex with cpd 1

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	425	48135.7	2	UniProt (O75874) Pfam (PF00180)	HOMO SAPIENS (HUMAN)	IDH, CYTOSOLIC NADP-ISOCITRATE DEHYDROGENASE, IDP, NADP(+)- SPECIFIC ICDH, OXALOSUCCINATE DECARBOXYLASE
2	C (A)	2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol	non-polymer		366.5	1	Chemie (VVS)
3	D, E (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
4	F (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	G, H (A, B)	water	water		18.0	766	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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
His 132	Arg 132	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96271.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1945.4
All*	Total formula weight	98216.8

*Water molecules are not included.