5SGX

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(ncc(C)c2n3)C)C)CCC[C@@H]4C(F)(F)F, micromolar IC50=0.027384

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	343	39413.2	2	UniProt (Q9Y233) Pfam (PF00233)	Homo sapiens (human)
2	B, D (B, D)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	343	39489.3	2	UniProt (Q9Y233) Pfam (PF00233)	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)	(4S)-5,8-dimethyl-2-(2-{1-methyl-3-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-1,2,4-triazol-5-yl}ethyl)[1,2,4]triazolo[1,5-c]pyrimidine	non-polymer		394.4	4	Chemie (IZH)
6	Q, R, S, T (A, B, C, D)	water	water		18.0	788	Chemie (HOH)

Sequence modifications

A, C: 449 - 789 (UniProt: Q9Y233)

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

B, 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	157805.1
Non-Polymers*	Number of molecules	12
	Total formula weight	1936.4
All*	Total formula weight	159741.5

*Water molecules are not included.