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Fluorine in PDB 5p9o: Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Enzymatic activity of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
All present enzymatic activity of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9o
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) | 45.40 / 1.10 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.711, 54.666, 81.533, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 14.9 / 18.8 |
Other elements in 5p9o:
The structure of Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
(pdb code 5p9o). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9o:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9o:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 5p9o
Go back to
Fluorine Binding Sites List in 5p9o
Fluorine binding site 1 out
of 3 in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
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 Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 5p9o
Go back to
Fluorine Binding Sites List in 5p9o
Fluorine binding site 2 out
of 3 in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
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 Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 5p9o
Go back to
Fluorine Binding Sites List in 5p9o
Fluorine binding site 3 out
of 3 in the Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
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 Humanized Rat Comt in Complex with 7-Fluoro-5,6-Bis(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
|
Reference:
C.Lerner,
R.Jakob-Roetne,
K.Groebke-Zbinden,
B.Buettelmann,
M.G.Rudolph.
Crystal Structure of A Comt Complex To Be Published.
Page generated: Tue Jul 15 06:01:07 2025
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