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Fluorine in PDB 5p9b: Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A
Enzymatic activity of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A
All present enzymatic activity of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A, PDB code: 5p9b
was solved by
A.Ehler,
C.Lerner,
M.G.Rudolph,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 44.64 / 1.45 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.940, 53.644, 80.503, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 15.1 / 18.4 |
Other elements in 5p9b:
The structure of Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A 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 Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A
(pdb code 5p9b). 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 N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A, PDB code: 5p9b:
In total only one binding site of Fluorine was determined in the Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A, PDB code: 5p9b:
Fluorine binding site 1 out of 1 in 5p9b
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Fluorine Binding Sites List in 5p9b
Fluorine binding site 1 out
of 1 in the Rat Catechol O-Methyltransferase in Complex with N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A
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 N-[2-[[5-(4- Fluorophenyl)-2,3-Dihydroxybenzoyl]Amino]Ethyl]-6-Hydroxypyrimidine- 4-Carboxamide at 1.45A within 5.0Å range:
|
Reference:
C.Lerner,
M.G.Rudolph.
Crystal Structure of A Comt Complex To Be Published.
Page generated: Tue Jul 15 06:00:39 2025
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