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Fluorine in PDB 5lqr: Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide
Enzymatic activity of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide
All present enzymatic activity of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqr
was solved by
A.Ehler,
C.Lerner,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 30.94 / 1.50 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.746, 56.552, 78.056, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 14.3 / 16.9 |
Other elements in 5lqr:
The structure of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 2 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide
(pdb code 5lqr). 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 Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqr:
In total only one binding site of Fluorine was determined in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqr:
Fluorine binding site 1 out of 1 in 5lqr
Go back to
Fluorine Binding Sites List in 5lqr
Fluorine binding site 1 out
of 1 in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide
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 Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide within 5.0Å range:
|
Reference:
C.Lerner,
M.G.Rudolph.
Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Ethylpurin-9-Yl)-3, 4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4-Fluorophenyl)-2, 3-Dihydroxybenzamide To Be Published.
Page generated: Sun Dec 13 12:27:19 2020
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