Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
9M0 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-C]pyrrol-9(2h)-one
MG Magnesium ion
SO4 Sulfate ion
ZN Zinc ion
Code : 5ZZ2
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of PDE5 in complex with inhibitor LW1634
Release Data : 2018-09-19
Compound :
mol_id molecule chains synonym
1 cGMP-specific 3',5'-cyclic phosphodiesterase A cGMP-binding cGMP-specific phosphodiesterase,CGB-PDE
ec: 3.1.4.35
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21  (taxid:511693)
gene: PDE5A, PDE5
expression_system_strain: BL21
Authors : Wu, D., Huang, Y.D., Huang, Y.Y., Luo, H.B.
Keywords : PDE5 inhibitor LW1634, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.60 Å )
Citation :

Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.

Wu, D.,Huang, Y.,Chen, Y.  et al.
(2018)  J. Med. Chem.  61 : 8468 - 8473

PubMed: 30148362
DOI: 10.1021/acs.jmedchem.8b01209

Chain : A
UniProt : O76074 (PDE5A_HUMAN)
Reaction : Guanosine 3',5'-cyclic phosphate + H(2)O = guanosine 5'-phosphate.