5EDG

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(nc([nH]1)Cl)c2ccccc2)C4=NN(c3cccc(c3)OC(F)(F)F)C=CC4=O, micromolar IC50=0.029618

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	315	36529.1	3	UniProt (Q9Y233)	Homo sapiens (Human)
2	B (B)	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	316	36600.2	1	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)	3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one	non-polymer		432.8	4	Chemie (5MG)
6	Q, R, S, T (A, B, C, D)	water	water		18.0	319	Chemie (HOH)

Sequence modifications

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

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

B: 457 - 770 (UniProt: Q9Y233)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	146187.6
Non-Polymers*	Number of molecules	12
	Total formula weight	2090.0
All*	Total formula weight	148277.6

*Water molecules are not included.