4PHW

Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone

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	351	40575.4	2	UniProt (Q9Y233)	Homo sapiens (Human)
2	C, D, H, I (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	E, F, J, K, L... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	G, N (A, B)	1H-benzimidazol-2-yl(4-{[3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]oxy}phenyl)methanone	non-polymer		399.4	2	Chemie (2W1)
5	O, P (A, B)	water	water		18.0	146	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 429	-	initiating methionine
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	12
	Total formula weight	1636.9
All*	Total formula weight	82787.7

*Water molecules are not included.