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Fluorine in PDB 5pa4: Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One
Enzymatic activity of Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One
All present enzymatic activity of Humanized Rat Comt in Complex with 6-(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 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One, PDB code: 5pa4
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) | 45.12 / 1.99 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.676, 54.204, 81.426, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 21.1 / 26.9 |
Other elements in 5pa4:
The structure of Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One
(pdb code 5pa4). 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 Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One, PDB code: 5pa4:
In total only one binding site of Fluorine was determined in the Humanized Rat Comt in Complex with 6-(4-Fluorophenyl)-8-Hydroxy-3H- Quinazolin-4-One, PDB code: 5pa4:
Fluorine binding site 1 out of 1 in 5pa4
Go back to
Fluorine Binding Sites List in 5pa4
Fluorine binding site 1 out
of 1 in the Humanized Rat Comt in Complex with 6-(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 6-(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: Thu Aug 1 12:45:50 2024
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