4BBX

Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia

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	336	38990.8	2	UniProt (Q9Y233) In PDB	HOMO SAPIENS (HUMAN)	PHOSPHODIESTERASE 10A
2	A, B	4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine	non-polymer		356.4	2	Chemie (LKF)
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	53	Chemie (HOH)

Sequence modifications

A, B: 443 - 769 (UniProt: Q9Y233)

PDB	External Database	Details
Met 441	-	expression tag
Gly 442	-	expression tag
Arg 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag
His 773	-	expression tag
His 774	-	expression tag
His 775	-	expression tag
His 776	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	77981.5
Non-Polymers*	Number of molecules	6
	Total formula weight	892.3
All*	Total formula weight	78873.8

*Water molecules are not included.