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Chlorine in PDB 5p9r: Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Enzymatic activity of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
All present enzymatic activity of Humanized Rat Comt in Complex with 5-Chloro-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 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9r
was solved by
A.Ehler,
R.Jakob-Roetne,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.13 / 1.70 |
| Space group | C 2 2 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.267, 159.965, 67.750, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 22.4 / 25.4 |
Other elements in 5p9r:
The structure of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
| Magnesium | (Mg) | 2 atoms |
| Sodium | (Na) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
(pdb code 5p9r). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9r:
Jump to Chlorine binding site number: 1; 2; 3;
In total 3 binding sites of Chlorine where determined in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9r:
Jump to Chlorine binding site number: 1; 2; 3;
Chlorine binding site 1 out of 3 in 5p9r
Go back to
Chlorine Binding Sites List in 5p9r
Chlorine binding site 1 out
of 3 in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
|
Chlorine binding site 2 out of 3 in 5p9r
Go back to
Chlorine Binding Sites List in 5p9r
Chlorine binding site 2 out
of 3 in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
|
Chlorine binding site 3 out of 3 in 5p9r
Go back to
Chlorine Binding Sites List in 5p9r
Chlorine binding site 3 out
of 3 in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Humanized Rat Comt in Complex with 5-Chloro-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: Fri Jul 26 15:04:40 2024
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