8T7D

Crystal structure of wild type IDH1 bound to compound 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, C, D (A, B, C, D)	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	424	48067.7	4	UniProt (O75874) Pfam (PF00180)	Homo sapiens (human)	IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	E, F, G, H (A, B, C, D)	N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide	non-polymer		400.5	4	Chemie (ZT3)

Sequence modifications

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

PDB	External Database	Details
Leu 415	-	expression tag
Glu 416	-	expression tag
His 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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	192270.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1602.1
All*	Total formula weight	193872.7

*Water molecules are not included.