Chlorine »
PDB 5ouo-5p9p »
5p8x »
Chlorine in PDB 5p8x: Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A
Enzymatic activity of Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A
All present enzymatic activity of Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A:
2.1.1.6;
2.1.1.6;
Protein crystallography data
The structure of Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A, PDB code: 5p8x
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) | 40.28 / 1.31 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.178, 54.172, 80.557, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 13 / 15.6 |
Other elements in 5p8x:
The structure of Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
| Magnesium | (Mg) | 1 atom |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A
(pdb code 5p8x). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A, PDB code: 5p8x:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A, PDB code: 5p8x:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 5p8x
Go back to
Chlorine Binding Sites List in 5p8x
Chlorine binding site 1 out
of 2 in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 5p8x
Go back to
Chlorine Binding Sites List in 5p8x
Chlorine binding site 2 out
of 2 in the Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Humanized Rat Catechol O-Methyltransferase in Complex with N-[2-[5- (1H-Benzimidazol-5-Yl)-4H-1,2,4-Triazol-3-Yl]Ethyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide at 1.31A within 5.0Å range:
|
Reference:
C.Lerner,
M.G.Rudolph.
Crystal Structure of A Comt Complex To Be Published.
Page generated: Fri Jul 26 14:59:51 2024
Last articles
Zn in 9MJ5Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
