4MVH

Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	351	40575.4	2	UniProt (Q9Y233) In PDB	Homo sapiens (human)
2	A, B	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	A, B	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
4	A, B	1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone	non-polymer		401.4	2	Chemie (2F5)
5		water	water		18.0	137	Chemie (HOH)

Sequence modifications

A, B: 442 - 779 (UniProt: Q9Y233)

PDB	External Database	Details
Met 429	-	EXPRESSION TAG
Lys 430	-	EXPRESSION TAG
His 431	-	EXPRESSION TAG
His 432	-	EXPRESSION TAG
His 433	-	EXPRESSION TAG
His 434	-	EXPRESSION TAG
His 435	-	EXPRESSION TAG
His 436	-	EXPRESSION TAG
His 437	-	EXPRESSION TAG
Asp 438	-	EXPRESSION TAG
Glu 439	-	EXPRESSION TAG
Val 440	-	EXPRESSION TAG
Asp 441	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81150.8
Non-Polymers*	Number of molecules	18
	Total formula weight	2217.2
All*	Total formula weight	83368.0

*Water molecules are not included.