4G2Y

Crystal structure of PDE5A complexed with its inhibitor

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	347	40091.1	1	UniProt (O76074) Pfam (PF00233) In PDB	Homo sapiens (human)	cGMP-binding cGMP-specific phosphodiesterase, CGB-PDE
2	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	A	2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one	non-polymer		432.5	1	Chemie (NI5)
6		water	water		18.0	67	Chemie (HOH)

Sequence modifications

A: 535 - 860 (UniProt: O76074)

PDB	External Database	Details
Met 514	-	expression tag
Gly 515	-	expression tag
Ser 516	-	expression tag
Ser 517	-	expression tag
His 518	-	expression tag
His 519	-	expression tag
His 520	-	expression tag
His 521	-	expression tag
His 522	-	expression tag
His 523	-	expression tag
Ser 524	-	expression tag
Ser 525	-	expression tag
Gly 526	-	expression tag
Leu 527	-	expression tag
Val 528	-	expression tag
Pro 529	-	expression tag
Arg 530	-	expression tag
Gly 531	-	expression tag
Ser 532	-	expression tag
His 533	-	expression tag
Met 534	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40091.1
Non-Polymers*	Number of molecules	4
	Total formula weight	628.4
All*	Total formula weight	40719.5

*Water molecules are not included.