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Fluorine in PDB 3hvi: Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor
Enzymatic activity of Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor
All present enzymatic activity of Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor, PDB code: 3hvi
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) | 32.45 / 1.20 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.857, 54.706, 80.617, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13.1 / 16.1 |
Other elements in 3hvi:
The structure of Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 1 atom |
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor
(pdb code 3hvi). 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 Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor, PDB code: 3hvi:
In total only one binding site of Fluorine was determined in the Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor, PDB code: 3hvi:
Fluorine binding site 1 out of 1 in 3hvi
Go back to
Fluorine Binding Sites List in 3hvi
Fluorine binding site 1 out
of 1 in the Rat Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor
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 Catechol O-Methyltransferase in Complex with A Catechol-Type, N6- Ethyladenine-Containing Bisubstrate Inhibitor within 5.0Å range:
|
Reference:
M.Ellermann,
R.Jakob-Roetne,
C.Lerner,
E.Borroni,
D.Schlatter,
D.Roth,
A.Ehler,
M.G.Rudolph,
F.Diederich.
Molecular Recognition at the Active Site of Catechol-O-Methyltransferase: Energetically Favorable Replacement of A Water Molecule Imported By A Bisubstrate Inhibitor. Angew.Chem.Int.Ed.Engl. V. 48 9092 2009.
ISSN: ISSN 1433-7851
PubMed: 19882607
DOI: 10.1002/ANIE.200904410
Page generated: Mon Jul 14 16:56:20 2025
ISSN: ISSN 1433-7851
PubMed: 19882607
DOI: 10.1002/ANIE.200904410
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