PDBsum entry 3tgg

Hydrolase/hydrolase inhibitor

PDB id: 3tgg

Contents

Protein chain

324 a.a.

Ligands

0H3

Metals

_ZN

_MG

Waters ×179

PDB id:

3tgg

Name:

Hydrolase/hydrolase inhibitor

Title:

A novel series of potent and selective pde5 inhibitor2

Structure:

Cgmp-specific 3',5'-cyclic phosphodiesterase. Chain: a. Fragment: catalytic residues 534-858. Synonym: cgmp-binding cgmp-specific phosphodiesterase, cgb-pde. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pde5a, pde5. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

1.91Å R-factor: 0.188 R-free: 0.229

Authors:

S.Han

Key ref:

R.O.Hughes et al. (2011). Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region. Bioorg Med Chem Lett, 21, 6348-6352. PubMed id: 21955943

Date:

17-Aug-11 Release date: 25-Jan-12

Protein chain

O76074  (PDE5A_HUMAN) -  cGMP-specific 3',5'-cyclic phosphodiesterase from Homo sapiens

Seq: 875 a.a.

Struc: 324 a.a.*

* PDB and UniProt seqs differ at 19 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.3.1.4.35 - 3',5'-cyclic-GMP phosphodiesterase.
• Reaction: 3',5'-cyclic GMP + H2O = GMP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

Added reference

Bioorg Med Chem Lett 21:6348-6352 (2011)

PubMed id: 21955943

Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region.

R.O.Hughes, T.Maddux, D.Joseph Rogier, S.Lu, J.K.Walker, E.Jon Jacobsen, J.M.Rumsey, Y.Zheng, A.Macinnes, B.R.Bond, S.Han.

ABSTRACT

No abstract given.