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Fluorine in PDB 3nwe: Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group
Enzymatic activity of Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group
All present enzymatic activity of Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group, PDB code: 3nwe
was solved by
A.Ehler,
D.Schlatter,
M.Stihle,
J.Benz,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 45.19 / 1.50 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.517, 55.168, 78.765, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13.4 / 16.3 |
Other elements in 3nwe:
The structure of Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group 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 Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group
(pdb code 3nwe). 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 Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group, PDB code: 3nwe:
In total only one binding site of Fluorine was determined in the Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group, PDB code: 3nwe:
Fluorine binding site 1 out of 1 in 3nwe
Go back to
Fluorine Binding Sites List in 3nwe
Fluorine binding site 1 out
of 1 in the Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group
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 Rat Comt in Complex with A Methylated Desoxyribose Bisubstrate- Containing Inhibitor Avoids Hydroxyl Group within 5.0Å range:
|
Reference:
M.Ellermann,
C.Lerner,
G.Burgy,
A.Ehler,
C.Bissantz,
R.Jakob-Roetne,
R.Paulini,
O.Allemann,
H.Tissot,
D.Grunstein,
M.Stihle,
F.Diederich,
M.G.Rudolph.
Catechol-O-Methyltransferase in Complex with Substituted 3'-Deoxyribose Bisubstrate Inhibitors Acta Crystallogr.,Sect.D V. 68 253 2012.
ISSN: ISSN 0907-4449
PubMed: 22349227
DOI: 10.1107/S0907444912001138
Page generated: Sun Dec 13 11:52:00 2020
ISSN: ISSN 0907-4449
PubMed: 22349227
DOI: 10.1107/S0907444912001138
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