5EDE

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc(s1)C(NCC2OCCC2)=O)c(nn3c4ccc(cc4)Cl)C, micromolar IC50=0.217

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, D (A, C, D)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	316	36600.2	3	UniProt (Q9Y233)	Homo sapiens (Human)
2	B (B)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	315	36472.1	1	UniProt (Q9Y233)	Homo sapiens (Human)
3	E, I, M, P (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	F, J, N, Q (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	G, K (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	H, L, O, R (A, B, C, D)	1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide	non-polymer		375.9	4	Chemie (5M6)
7	S, T, U, V (A, B, C, D)	water	water		18.0	780	Chemie (HOH)

Sequence modifications

A, C, D: 457 - 770 (UniProt: Q9Y233)

PDB	External Database	Details
Ala 456	-	expression tag
Arg 470	Lys 460	conflict
Ala 771	-	expression tag

B: 458 - 770 (UniProt: Q9Y233)

PDB	External Database	Details
Ala 457	-	expression tag
Arg 470	Lys 460	conflict
Ala 771	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	146272.7
Non-Polymers*	Number of molecules	14
	Total formula weight	2046.5
All*	Total formula weight	148319.3

*Water molecules are not included.