4L03

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	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	425	48212.8	3	UniProt (O75874) Pfam (PF00180) In PDB	Homo sapiens (human)	IDH, Cytosolic NADP-isocitrate dehydrogenase, IDP, NADP(+)-specific ICDH, Oxalosuccinate decarboxylase
2	A, B, C	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	3	Chemie (NAP)
3	A, B, C	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	A, B, C	2-OXOGLUTARIC ACID	non-polymer		146.1	3	Chemie (AKG)
6		water	water		18.0	581	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Asp 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	3
	Total formula weight	144638.3
Non-Polymers*	Number of molecules	10
	Total formula weight	2850.8
All*	Total formula weight	147489.1

*Water molecules are not included.