4L04

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...	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	425	48211.8	6	UniProt (O75874) Pfam (PF00180) In PDB	Homo sapiens (human)	IDH, Cytosolic NADP-isocitrate dehydrogenase, IDP, NADP(+)-specific ICDH, Oxalosuccinate decarboxylase
2	A, B, C, D, E...	2-OXOGLUTARIC ACID	non-polymer		146.1	6	Chemie (AKG)
3	A, C, D, E, F	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
4	A, B, C, D, E...	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	6	Chemie (NAP)
5		water	water		18.0	69	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Asn 97	Gly 97	conflict
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	289270.7
Non-Polymers*	Number of molecules	18
	Total formula weight	5577.5
All*	Total formula weight	294848.2

*Water molecules are not included.