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Chlorine in PDB 3nwb: Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group
Enzymatic activity of Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group
All present enzymatic activity of Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group, PDB code: 3nwb
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) | 23.42 / 1.30 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.389, 55.351, 79.356, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13.2 / 16.4 |
Other elements in 3nwb:
The structure of Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
| Magnesium | (Mg) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group
(pdb code 3nwb). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group, PDB code: 3nwb:
Jump to Chlorine binding site number: 1; 2; 3;
In total 3 binding sites of Chlorine where determined in the Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group, PDB code: 3nwb:
Jump to Chlorine binding site number: 1; 2; 3;
Chlorine binding site 1 out of 3 in 3nwb
Go back to
Chlorine Binding Sites List in 3nwb
Chlorine binding site 1 out
of 3 in the Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group
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 Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group within 5.0Å range:
|
Chlorine binding site 2 out of 3 in 3nwb
Go back to
Chlorine Binding Sites List in 3nwb
Chlorine binding site 2 out
of 3 in the Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group
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 Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group within 5.0Å range:
|
Chlorine binding site 3 out of 3 in 3nwb
Go back to
Chlorine Binding Sites List in 3nwb
Chlorine binding site 3 out
of 3 in the Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate Inhibitor Avoids Hydroxyl Group
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 Rat Comt in Complex with A Fluorinated Desoxyribose-Containing Bisubstrate 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: Sat Dec 12 09:58:30 2020
ISSN: ISSN 0907-4449
PubMed: 22349227
DOI: 10.1107/S0907444912001138
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