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Fluorine in PDB 3shy: Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors
Enzymatic activity of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors
All present enzymatic activity of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors:
3.1.4.35;
3.1.4.35;
Protein crystallography data
The structure of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors, PDB code: 3shy
was solved by
T.T.Chen,
T.Chen,
Y.C.Xu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 36.33 / 2.65 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.458, 74.458, 131.926, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 21.1 / 25.9 |
Other elements in 3shy:
The structure of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors also contains other interesting chemical elements:
| Magnesium | (Mg) | 3 atoms |
| Zinc | (Zn) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors
(pdb code 3shy). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors, PDB code: 3shy:
In total only one binding site of Fluorine was determined in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors, PDB code: 3shy:
Fluorine binding site 1 out of 1 in 3shy
Go back to
Fluorine Binding Sites List in 3shy
Fluorine binding site 1 out
of 1 in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors within 5.0Å range:
|
Reference:
Z.Xu,
Z.Liu,
T.Chen,
T.T.Chen,
Z.Wang,
G.Tian,
J.Shi,
X.Wang,
Y.Lu,
X.Yan,
G.Wang,
H.Jiang,
K.Chen,
S.Wang,
Y.Xu,
J.Shen,
W.Zhu.
Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem. V. 54 5607 2011.
ISSN: ISSN 0022-2623
PubMed: 21714539
DOI: 10.1021/JM200644R
Page generated: Mon Jul 14 19:18:32 2025
ISSN: ISSN 0022-2623
PubMed: 21714539
DOI: 10.1021/JM200644R
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