5SHR

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(c(nc(n1)c2ccccc2)N(C)Cc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=1.47052

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)	N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine	non-polymer		348.4	4	Chemie (JIP)
6	Q, R, S, T (A, B, C, D)	water	water		18.0	499	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	1752.5
All*	Total formula weight	159481.4

*Water molecules are not included.