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Fluorine in PDB 5p97: Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A
Enzymatic activity of Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A
All present enzymatic activity of Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A, PDB code: 5p97
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) | 44.75 / 1.30 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.234, 53.978, 80.025, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16.5 / 18.9 |
Other elements in 5p97:
The structure of Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A also contains other interesting chemical elements:
| Magnesium | (Mg) | 1 atom |
| Chlorine | (Cl) | 3 atoms |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A
(pdb code 5p97). 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 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A, PDB code: 5p97:
In total only one binding site of Fluorine was determined in the Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A, PDB code: 5p97:
Fluorine binding site 1 out of 1 in 5p97
Go back to
Fluorine Binding Sites List in 5p97
Fluorine binding site 1 out
of 1 in the Rat Catechol O-Methyltransferase in Complex with 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A
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 5-(4-Fluorophenyl)-2, 3-Dihydroxy-N-[(1-Methylimidazol-4-Yl)Methyl]Benzamide at 1.30A within 5.0Å range:
|
Reference:
C.Lerner,
M.G.Rudolph.
Crystal Structure of A Comt Complex To Be Published.
Page generated: Sun Dec 13 12:30:33 2020
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