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Zinc in PDB 3hdz: Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors

Enzymatic activity of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors

All present enzymatic activity of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors:
3.1.4.35; 3.1.4.53;

Protein crystallography data

The structure of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors, PDB code: 3hdz was solved by J.W.Cubbage, D.G.Brown, E.J.Jacobsen, J.K.Walker, R.O.Hughes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.67 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 56.015, 76.502, 80.720, 90.00, 102.90, 90.00
R / Rfree (%) 17.9 / 21

Other elements in 3hdz:

The structure of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors (pdb code 3hdz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors, PDB code: 3hdz:

Zinc binding site 1 out of 1 in 3hdz

Go back to Zinc Binding Sites List in 3hdz
Zinc binding site 1 out of 1 in the Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Identification, Synthesis, and Sar of Amino Substituted Pyrido[3, 2B]Pryaziones As Potent and Selective PDE5 Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn864

b:16.5
occ:1.00
 OD2 A:ASP764 2.1 10.5 1.0
NE2 A:HIS617 2.1 10.3 1.0
OD2 A:ASP654 2.2 9.4 1.0
O A:HOH5 2.2 8.5 1.0
O A:HOH27 2.2 15.8 1.0
NE2 A:HIS653 2.2 9.8 1.0
CG A:ASP764 3.0 12.5 1.0
CD2 A:HIS653 3.0 10.3 1.0
CD2 A:HIS617 3.1 10.7 1.0
CE1 A:HIS617 3.1 11.0 1.0
CG A:ASP654 3.2 10.6 1.0
CE1 A:HIS653 3.3 9.9 1.0
OD1 A:ASP764 3.3 15.1 1.0
OD1 A:ASP654 3.6 10.5 1.0
MG A:MG865 3.7 10.3 1.0
O A:HOH383 3.9 10.5 1.0
O A:HOH286 4.0 39.8 1.0
O A:HOH98 4.0 16.8 1.0
CD2 A:HIS613 4.2 12.7 1.0
ND1 A:HIS617 4.2 10.2 1.0
CG A:HIS653 4.3 9.9 1.0
CG A:HIS617 4.3 10.4 1.0
ND1 A:HIS653 4.3 9.4 1.0
CB A:ASP654 4.4 10.4 1.0
CB A:ASP764 4.4 10.5 1.0
NE2 A:HIS613 4.5 11.6 1.0
O A:HOH3 4.7 8.1 1.0
O A:ASP764 4.8 10.6 1.0
CA A:ASP764 4.8 10.9 1.0
OG1 A:THR621 4.9 10.1 1.0

Reference:

D.R.Owen, J.K.Walker, E.Jon Jacobsen, J.N.Freskos, R.O.Hughes, D.L.Brown, A.S.Bell, D.G.Brown, C.Phillips, B.V.Mischke, J.M.Molyneaux, Y.M.Fobian, S.E.Heasley, J.B.Moon, W.C.Stallings, D.Joseph Rogier, D.N.Fox, M.J.Palmer, T.Ringer, M.Rodriquez-Lens, J.W.Cubbage, R.M.Blevis-Bal, A.G.Benson, B.A.Acker, T.M.Maddux, M.B.Tollefson, B.R.Bond, A.Macinnes, Y.Yu. Identification, Synthesis and Sar of Amino Substituted Pyrido[3,2B]Pyrazinones As Potent and Selective PDE5 Inhibitors. Bioorg.Med.Chem.Lett. 2009.
ISSN: ESSN 1464-3405
PubMed: 19540112
DOI: 10.1016/J.BMCL.2009.06.012
Page generated: Thu Oct 24 14:25:37 2024

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