4D09

PDE2a catalytic domain in complex with a brain penetrant inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE	polymer	353	41432.4	4	UniProt (O00408) Pfam (PF00233)	HOMO SAPIENS (HUMAN)	CYCLIC GMP-STIMULATED PHOSPHODIESTERASE, CGS-PDE, CGSPDE, PDE2A
2	E, H, K, N (A, B, C, D)	N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide	non-polymer		393.4	4	Chemie (788)
3	F, I, L, O (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	G, J, M, P (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	Q, R, S, T (A, B, C, D)	water	water		18.0	265	Chemie (HOH)

Sequence modifications

A, B, C, D: 578 - 921 (UniProt: O00408)

PDB	External Database	Details
Met 576	-	expression tag
Gly 577	-	expression tag
Arg 922	-	expression tag
His 923	-	expression tag
His 924	-	expression tag
His 925	-	expression tag
His 926	-	expression tag
His 927	-	expression tag
His 928	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	165729.5
Non-Polymers*	Number of molecules	12
	Total formula weight	1932.6
All*	Total formula weight	167662.1

*Water molecules are not included.