8VHE

Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct

This is a non-PDB format compatible entry.

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	Isocitrate dehydrogenase [NADP] cytoplasmic	polymer	430	48500.1	4	UniProt (O75874) Pfam (PF00180) In PDB	Homo sapiens (human)	IDH,IDH1,Cytosolic NADP-isocitrate dehydrogenase,IDPc,NADP(+)-specific ICDH,Oxalosuccinate decarboxylase
2	A, B, C, D	3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid	non-polymer		995.6	4	Chemie (A1AAX)
3	A, B, C, D	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
4	D, A, B, C	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
5	D, A, B, C	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
6	B, C, D	THIOCYANATE ION	non-polymer		58.1	3	Chemie (SCN)
7		water	water		18.0	933	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Gln 132	Arg 132	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	194000.5
Non-Polymers*	Number of molecules	24
	Total formula weight	5287.6
All*	Total formula weight	199288.1

*Water molecules are not included.