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Fluorine in PDB 5p9x: Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide
Enzymatic activity of Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide
All present enzymatic activity of Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5p9x
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) | 42.49 / 1.12 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 49.964, 54.087, 80.776, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 16 / 18.4 |
Other elements in 5p9x:
The structure of Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide 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 Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide
(pdb code 5p9x). 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 Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5p9x:
In total only one binding site of Fluorine was determined in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide, PDB code: 5p9x:
Fluorine binding site 1 out of 1 in 5p9x
Go back to
Fluorine Binding Sites List in 5p9x
Fluorine binding site 1 out
of 1 in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide
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 Humanized Rat Catechol O-Methyltransferase in Complex with N-[1-[(2R, 3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Propan-2- Yl]-5-(4-Fluorophenyl)-2,3-Dihydroxybenzamide within 5.0Å range:
|
Reference:
C.Lerner,
R.Jakob-Roetne,
K.Groebke-Zbinden,
B.Buettelmann,
M.G.Rudolph.
Crystal Structure of A Comt Complex To Be Published.
Page generated: Sun Dec 13 12:30:42 2020
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