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Fluorine in PDB 5lqu: Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-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-(Ethylamino)Purin-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-(Ethylamino)Purin-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-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqu
was solved by
A.Ehler,
C.Lerner,
M.Ellermann,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 44.85 / 1.80 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 56.154, 61.571, 130.941, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.3 / 20.5 |
Other elements in 5lqu:
The structure of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide also contains other interesting chemical elements:
| Magnesium | (Mg) | 2 atoms |
| Chlorine | (Cl) | 3 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-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide
(pdb code 5lqu). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqu:
Jump to Fluorine binding site number: 1; 2;
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5lqu:
Jump to Fluorine binding site number: 1; 2;
Fluorine binding site 1 out of 2 in 5lqu
Go back to
Fluorine Binding Sites List in 5lqu
Fluorine binding site 1 out
of 2 in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-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-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide within 5.0Å range:
|
Fluorine binding site 2 out of 2 in 5lqu
Go back to
Fluorine Binding Sites List in 5lqu
Fluorine binding site 2 out
of 2 in the Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-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 2 of Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide within 5.0Å range:
|
Reference:
C.Lerner,
M.Ellermann,
M.G.Rudolph.
Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(Ethylamino)Purin-9-Yl]-3, 4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4-Fluorophenyl)-2, 3-Dihydroxybenzamide To Be Published.
Page generated: Tue Jul 15 05:05:10 2025
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