3TGG

A novel series of potent and selective PDE5 inhibitor2

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	326	37610.2	1	UniProt (O76074) Pfam (PF00233) In PDB	Homo sapiens (human)	cGMP-binding cGMP-specific phosphodiesterase, CGB-PDE
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one	non-polymer		441.5	1	Chemie (0H3)
5		water	water		18.0	179	Chemie (HOH)

Sequence modifications

A: 534 - 858 (UniProt: O76074)

PDB	External Database	Details
Pro 658	Arg 658	engineered mutation
Ser 661	-	expression tag
Gln 663	Asn 662	engineered mutation
Phe 664	Ser 663	engineered mutation
Leu 665	Tyr 664	engineered mutation
Asn 667	-	expression tag
Thr 668	Gln 666	engineered mutation
Asn 669	Arg 667	engineered mutation
-	His 670	deletion
-	Pro 671	deletion
Leu 674	Gln 674	engineered mutation
Met 675	Leu 675	engineered mutation
Asn 677	-	expression tag
Asp 678	Cys 677	engineered mutation
Glu 679	His 678	engineered mutation
Val 681	Ile 680	engineered mutation
Leu 681	Met 681	engineered mutation
Glu 751	Gln 751	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37610.2
Non-Polymers*	Number of molecules	3
	Total formula weight	531.2
All*	Total formula weight	38141.4

*Water molecules are not included.