4L06

Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate

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, E... (A, B, C, D, E...)	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	425	48106.6	6	UniProt (O75874) Pfam (PF00180)	Homo sapiens (human)	IDH, Cytosolic NADP-isocitrate dehydrogenase, IDP, NADP(+)-specific ICDH, Oxalosuccinate decarboxylase
2	G, J, M, P, S... (A, B, C, D, E...)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
3	H, K, N, Q, T... (A, B, C, D, E...)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	6	Chemie (NAP)
4	I, L, O, R, U... (A, B, C, D, E...)	2-OXOGLUTARIC ACID	non-polymer		146.1	6	Chemie (AKG)
5	AA, BA, CA, DA, Y... (C, D, E, F, A...)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Asp 139	Tyr 139	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	6
	Total formula weight	288639.9
Non-Polymers*	Number of molecules	18
	Total formula weight	5577.5
All*	Total formula weight	294217.4

*Water molecules are not included.