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Fluorine in PDB 3nw9: Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor
Enzymatic activity of Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor
All present enzymatic activity of Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor, PDB code: 3nw9
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) | 36.45 / 1.65 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.507, 53.861, 80.257, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.8 / 20.7 |
Other elements in 3nw9:
The structure of Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 4 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor
(pdb code 3nw9). 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 Methylpurin-Containing Bisubstrate Inhibitor, PDB code: 3nw9:
In total only one binding site of Fluorine was determined in the Rat Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor, PDB code: 3nw9:
Fluorine binding site 1 out of 1 in 3nw9
Go back to
Fluorine Binding Sites List in 3nw9
Fluorine binding site 1 out
of 1 in the Rat Comt in Complex with A Methylpurin-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 Comt in Complex with A Methylpurin-Containing Bisubstrate Inhibitor within 5.0Å range:
|
Reference:
M.Ellermann,
R.Paulini,
R.Jakob-Roetne,
C.Lerner,
E.Borroni,
D.Roth,
A.Ehler,
W.B.Schweizer,
D.Schlatter,
M.G.Rudolph,
F.Diederich.
Molecular Recognition at the Active Site of Catechol-O-Methyltransferase (Comt): Adenine Replacements in Bisubstrate Inhibitors Chemistry V. 17 6369 2011.
ISSN: ISSN 0947-6539
PubMed: 21538606
DOI: 10.1002/CHEM.201003648
Page generated: Mon Jul 14 18:13:21 2025
ISSN: ISSN 0947-6539
PubMed: 21538606
DOI: 10.1002/CHEM.201003648
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