5SJG

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C4CCN(c1cn(c(n1)CCc3nn2c(ncc(c2n3)C)C)C)C4=O, micromolar IC50=0.039238

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	343	39489.3	1	UniProt (Q9Y233)	Homo sapiens (human)
2	B, C, D (B, C, D)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	343	39413.2	3	UniProt (Q9Y233)	Homo sapiens (Human)
3	E, H, K, N (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	F, I, L, O (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	G, J, M, P (A, B, C, D)	1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one	non-polymer		339.4	4	Chemie (K2L)
6	Q, R, S, T (A, B, C, D)	water	water		18.0	565	Chemie (HOH)

Sequence modifications

A: 449 - 789 (UniProt: Q9Y233)

PDB	External Database	Details
Gly 447	-	expression tag
Ser 448	-	expression tag

B, C, D: 449 - 789 (UniProt: Q9Y233)

PDB	External Database	Details
Gly 447	-	expression tag
Ser 448	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	157728.9
Non-Polymers*	Number of molecules	12
	Total formula weight	1716.4
All*	Total formula weight	159445.4

*Water molecules are not included.