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Fluorine in PDB 3wk8: Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor
Enzymatic activity of Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor
All present enzymatic activity of Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor:
3.1.3.76; 3.3.2.10;
3.1.3.76; 3.3.2.10;
Protein crystallography data
The structure of Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor, PDB code: 3wk8
was solved by
Y.Amano,
T.Yamaguchi,
E.Tanabe,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 43.23 / 2.20 |
| Space group | P 65 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 92.473, 92.473, 243.935, 90.00, 90.00, 120.00 |
| R / Rfree (%) | 19.9 / 25.4 |
Other elements in 3wk8:
The structure of Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor
(pdb code 3wk8). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor, PDB code: 3wk8:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor, PDB code: 3wk8:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 3wk8
Go back to
Fluorine Binding Sites List in 3wk8
Fluorine binding site 1 out
of 3 in the Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor
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 Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 3wk8
Go back to
Fluorine Binding Sites List in 3wk8
Fluorine binding site 2 out
of 3 in the Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor
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 2 of Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 3wk8
Go back to
Fluorine Binding Sites List in 3wk8
Fluorine binding site 3 out
of 3 in the Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor
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 3 of Crystal Structure of Soluble Epoxide Hydrolase in Complex with Fragment Inhibitor within 5.0Å range:
|
Reference:
Y.Amano,
T.Yamaguchi,
E.Tanabe.
Structural Insights Into Binding of Inhibitors to Soluble Epoxide Hydrolase Gained By Fragment Screening and X-Ray Crystallography Bioorg.Med.Chem. 2014.
ISSN: ESSN 1464-3391
PubMed: 24656800
DOI: 10.1016/J.BMC.2014.03.001
Page generated: Wed Jul 31 23:34:48 2024
ISSN: ESSN 1464-3391
PubMed: 24656800
DOI: 10.1016/J.BMC.2014.03.001
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