2CHM

Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CGMP-SPECIFIC 3', 5'-CYCLIC PHOSPHODIESTERASE, CAMP-SPECIFIC 3', 5'-CYCLIC PHOSPHODIESTERASE 4B	polymer	326	37610.2	1	UniProt (O76074) UniProt (Q07343) Pfam (PF00233) In PDB	HOMO SAPIENS (HUMAN)	3', 5' CGMP-CYCLIC PHOPHODIESTERASE 5A CATALYTIC DOMAIN CHIMERA, CGB-PDE, CGMP-BINDING CGMP-SPECIFIC PHOSPHODIESTERASE, DPDE4, PDE32
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE	non-polymer		437.5	1	Chemie (3P4)
5	A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
6		water	water		18.0	515	Chemie (HOH)

Sequence modifications

A: 534 - 656 (UniProt: O76074)
A: 682 - 858 (UniProt: O76074)

PDB	External Database	Details
Glu 751	Gln 751	conflict

A: 657 - 681 (UniProt: Q07343)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37610.2
Non-Polymers*	Number of molecules	4
	Total formula weight	722.5
All*	Total formula weight	38332.7

*Water molecules are not included.