Brand  (β version)

PDB ID: 6ACB

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Ligands
Code Name Style Show Link
9T9 3-[(2h-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-C]pyrrol-9(2h)-one PoSSuM
MG Magnesium ion PoSSuM
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
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Structure summary

Code : 6ACB   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of PDE5 in complex with inhibitor LW1805
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 in complex with inhibitor LW1805, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.80 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

Reaction

Chain : A
UniProt : O76074 (PDE5A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
3',5'-cyclic GMP + H2O = GMP + H(+) 3.1.4.35 PubMed:15260978, PubMed:9714779
left-to-right PubMed:15260978