2Y0J

Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A	polymer	340	39626.5	2	UniProt (Q9Y233) In PDB	HOMO SAPIENS (HUMAN)	PHOSPHODIESTERASE 10A
2	A, B	5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE	non-polymer		346.4	2	Chemie (AXC)
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5		water	water		18.0	220	Chemie (HOH)

Sequence modifications

A, B: 432 - 764 (UniProt: Q9Y233)

PDB	External Database	Details
Arg 765	-	expression tag
His 766	-	expression tag
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79253.1
Non-Polymers*	Number of molecules	6
	Total formula weight	872.2
All*	Total formula weight	80125.3

*Water molecules are not included.