7QPF

Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	340	39626.5	2	UniProt (Q9Y233)	Homo sapiens (human)
2	C, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E (A)	2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine	non-polymer		388.3	1	Chemie (EFJ)
5	H, I (A, B)	water	water		18.0	590	Chemie (HOH)

Sequence modifications

A, B: 432 - 764 (UniProt: Q9Y233)

PDB	External Database	Details
Arg 765	-	expression tag
His 766	-	expression tag
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79253.1
Non-Polymers*	Number of molecules	5
	Total formula weight	567.7
All*	Total formula weight	79820.8

*Water molecules are not included.