6L6E

Human PDE5 catalytic core in complex with avanafil

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	polymer	335	38990.9	1	UniProt (O76074) Pfam (PF00233) In PDB	Homo sapiens (Human)	human phosphodiesterase isoform 5,cGMP-binding cGMP-specific phosphodiesterase,CGB-PDE
2	A	4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide	non-polymer		484.0	1	Chemie (E6L)
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	87	Chemie (HOH)

Sequence modifications

A: 536 - 861 (UniProt: O76074)

PDB	External Database	Details
Met 535	-	initiating methionine
Leu 862	-	expression tag
Glu 863	-	expression tag
His 864	-	expression tag
His 865	-	expression tag
His 866	-	expression tag
His 867	-	expression tag
His 868	-	expression tag
His 869	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38990.9
Non-Polymers*	Number of molecules	4
	Total formula weight	669.7
All*	Total formula weight	39660.6

*Water molecules are not included.