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Zinc in PDB 3hc8: Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.

Enzymatic activity of Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.

All present enzymatic activity of Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.:
3.1.4.35; 3.1.4.53;

Protein crystallography data

The structure of Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System., PDB code: 3hc8 was solved by R.O.Hughes, W.C.Stallings, J.W.Cubbage, J.M.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.27 / 1.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.691, 77.085, 77.514, 90.00, 101.93, 90.00
R / Rfree (%) 19.6 / 23

Other elements in 3hc8:

The structure of Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. (pdb code 3hc8). 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 Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System., PDB code: 3hc8:

Zinc binding site 1 out of 1 in 3hc8

Go back to Zinc Binding Sites List in 3hc8
Zinc binding site 1 out of 1 in the Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn864

b:49.7
occ:1.00
 NE2 A:HIS653 2.1 31.1 1.0
OD1 A:ASP764 2.1 35.1 1.0
OD2 A:ASP654 2.2 31.7 1.0
O A:HOH13 2.2 39.5 1.0
NE2 A:HIS617 2.2 33.0 1.0
CD2 A:HIS617 2.8 34.1 1.0
CD2 A:HIS653 2.9 31.2 1.0
CG A:ASP764 3.0 34.7 1.0
CE1 A:HIS653 3.2 30.6 1.0
CG A:ASP654 3.2 30.6 1.0
OD2 A:ASP764 3.3 39.5 1.0
CE1 A:HIS617 3.4 34.4 1.0
OD1 A:ASP654 3.6 29.3 1.0
CD2 A:HIS613 4.0 31.1 1.0
MG A:MG865 4.0 54.7 1.0
CG A:HIS653 4.1 30.8 1.0
CG A:HIS617 4.1 32.2 1.0
ND1 A:HIS653 4.2 30.3 1.0
CB A:ASP764 4.3 32.0 1.0
ND1 A:HIS617 4.4 33.4 1.0
CB A:ASP654 4.4 30.0 1.0
NE2 A:HIS613 4.5 31.2 1.0
OG1 A:THR621 4.5 29.8 1.0
O A:HOH17 4.6 48.0 1.0
O A:HOH513 4.8 53.4 1.0
O A:HOH463 4.8 38.8 1.0
O A:ASP764 4.8 31.5 1.0
CA A:ASP764 4.9 31.9 1.0

Reference:

R.O.Hughes, J.K.Walker, J.W.Cubbage, Y.M.Fobian, D.J.Rogier, S.E.Heasley, R.M.Blevis-Bal, A.G.Benson, D.R.Owen, E.J.Jacobsen, J.N.Freskos, J.M.Molyneaux, D.L.Brown, W.C.Stallings, B.A.Acker, T.M.Maddux, M.B.Tollefson, J.M.Williams, J.B.Moon, B.V.Mischke, J.M.Rumsey, Y.Zheng, A.Macinnes, B.R.Bond, Y.Yu. Investigation of Aminopyridiopyrazinones As PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. Bioorg.Med.Chem.Lett. 2009.
ISSN: ESSN 1464-3405
PubMed: 19539468
DOI: 10.1016/J.BMCL.2009.06.004
Page generated: Thu Oct 24 14:23:44 2024

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