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Iodine in PDB 4oew: 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: 4oew
was solved by
T.T.Chen,
J.Ren,
Y.C.Xu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 32.09 / 2.44 |
| Space group | P 31 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 74.120, 74.120, 131.800, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 20.6 / 25.9 |
Other elements in 4oew:
The structure of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Zinc | (Zn) | 1 atom |
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors
(pdb code 4oew). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors, PDB code: 4oew:
In total only one binding site of Iodine was determined in the Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors, PDB code: 4oew:
Iodine binding site 1 out of 1 in 4oew
Go back to
Iodine Binding Sites List in 4oew
Iodine 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 Iodine with other atoms in the I binding
site number 1 of Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors within 5.0Å range:
|
Reference:
J.Ren,
Y.He,
W.Chen,
T.Chen,
G.Wang,
Z.Wang,
Z.Xu,
X.Luo,
W.Zhu,
H.Jiang,
J.Shen,
Y.Xu.
Thermodynamic and Structural Characterization of Halogen Bonding in Protein-Ligand Interactions: A Case Study of PDE5 and Its Inhibitors. J.Med.Chem. V. 57 3588 2014.
ISSN: ISSN 0022-2623
PubMed: 24702184
DOI: 10.1021/JM5002315
Page generated: Sun Aug 11 19:00:33 2024
ISSN: ISSN 0022-2623
PubMed: 24702184
DOI: 10.1021/JM5002315
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