8GRD

Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ADP and Mg

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	polymer	339	36625.1	1	UniProt (P50213) Pfam (PF00180)	Homo sapiens (human)	Isocitric dehydrogenase subunit alpha,NAD(+)-specific ICDH subunit alpha
2	B (B)	Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	polymer	352	39152.0	1	UniProt (O43837-2) Pfam (PF00180) UniProt (by SIFTS) (O43837)	Homo sapiens (human)	Isocitric dehydrogenase subunit beta,NAD(+)-specific ICDH subunit beta
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D (B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
5	E, F (A, B)	water	water		18.0	54	Chemie (HOH)

Sequence modifications

A: 1 - 339 (UniProt: P50213)

PDB	External Database	Details
Ala 139	Gln 166	engineered mutation

B: 1 - 340 (UniProt: O43837-2)

PDB	External Database	Details
Glu 341	-	expression tag
Ile 342	-	expression tag
Cys 343	-	expression tag
Arg 344	-	expression tag
Arg 345	-	expression tag
Val 346	-	expression tag
Lys 347	-	expression tag
Asp 348	-	expression tag
Leu 349	-	expression tag
Asp 350	-	expression tag
Glu 351	-	expression tag
Asn 352	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75777.2
Non-Polymers*	Number of molecules	2
	Total formula weight	451.5
All*	Total formula weight	76228.7

*Water molecules are not included.