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Fluorine in PDB 7me8: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution:
4.2.1.20;
4.2.1.20;
Protein crystallography data
The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution, PDB code: 7me8
was solved by
E.Hilario,
M.F.Dunn,
L.J.Mueller,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 39.39 / 1.60 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 183.404, 59.57, 67.279, 90, 95.04, 90 |
| R / Rfree (%) | 21 / 24.6 |
Other elements in 7me8:
The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution also contains other interesting chemical elements:
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
(pdb code 7me8). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution, PDB code: 7me8:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution, PDB code: 7me8:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7me8
Go back to
Fluorine Binding Sites List in 7me8
Fluorine binding site 1 out
of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
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 The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7me8
Go back to
Fluorine Binding Sites List in 7me8
Fluorine binding site 2 out
of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
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 2 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7me8
Go back to
Fluorine Binding Sites List in 7me8
Fluorine binding site 3 out
of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
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 3 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution within 5.0Å range:
|
Reference:
E.Hilario,
M.F.Dunn,
L.J.Mueller.
The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2-Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution. To Be Published.
Page generated: Tue Jul 15 21:39:14 2025
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