6ZND

[1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	cGMP-dependent 3',5'-cyclic phosphodiesterase	polymer	353	41432.4	2	UniProt (O00408) Pfam (PF00233)	Homo sapiens (Human)	Cyclic GMP-stimulated phosphodiesterase,cGSPDE
2	C, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, H (A, B)	[(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone	non-polymer		397.4	2	Chemie (QMZ)
5	I, J (A, B)	water	water		18.0	201	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 576	-	initiating methionine
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	2
	Total formula weight	82864.8
Non-Polymers*	Number of molecules	6
	Total formula weight	974.3
All*	Total formula weight	83839.0

*Water molecules are not included.