Fluorine in PDB 7kyt: The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution

Enzymatic activity of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution

All present enzymatic activity of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution, PDB code: 7kyt 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) 19.57 / 1.35
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.46, 61.25, 67.56, 90, 94.57, 90
R / Rfree (%) 17.5 / 20.9

Other elements in 7kyt:

The structure of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution also contains other interesting chemical elements:

Caesium (Cs) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution (pdb code 7kyt). 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 Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution, PDB code: 7kyt:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7kyt

Go back to Fluorine Binding Sites List in 7kyt
Fluorine binding site 1 out of 3 in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:27.6
occ:1.00
 F9F A:F9F301 0.0 27.6 1.0
C8 A:F9F301 1.3 28.5 1.0
F11 A:F9F301 2.1 27.4 1.0
F10 A:F9F301 2.1 27.2 1.0
O7 A:F9F301 2.2 27.0 1.0
O B:HOH687 3.2 22.6 1.0
O A:HOH611 3.3 25.4 1.0
O A:ALA129 3.3 17.6 1.0
O B:HOH734 3.3 20.5 1.0
CB B:PRO18 3.4 18.1 1.0
C1 A:F9F301 3.5 25.5 1.0
CB A:ALA59 3.9 18.4 1.0
CG B:PRO18 4.0 19.1 1.0
CB A:ALA129 4.1 18.7 1.0
C6 A:F9F301 4.2 28.2 1.0
C A:ALA129 4.2 16.4 1.0
CA B:PRO18 4.2 16.0 1.0
O A:HOH525 4.2 26.5 1.0
CA A:ALA129 4.3 15.6 1.0
C2 A:F9F301 4.6 24.8 1.0
CG1 A:ILE153 4.7 23.8 1.0
CZ A:PHE212 4.7 21.1 1.0
N B:GLN19 4.9 15.1 1.0

Fluorine binding site 2 out of 3 in 7kyt

Go back to Fluorine Binding Sites List in 7kyt
Fluorine binding site 2 out of 3 in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:27.2
occ:1.00
 F10 A:F9F301 0.0 27.2 1.0
C8 A:F9F301 1.3 28.5 1.0
F9F A:F9F301 2.1 27.6 1.0
F11 A:F9F301 2.1 27.4 1.0
O7 A:F9F301 2.2 27.0 1.0
C1 A:F9F301 2.9 25.5 1.0
C6 A:F9F301 2.9 28.2 1.0
O B:HOH687 3.3 22.6 1.0
CA A:ALA129 3.4 15.6 1.0
CD2 A:LEU127 3.5 17.4 1.0
CD1 A:ILE153 3.5 25.2 1.0
CB A:ALA129 3.5 18.7 1.0
O A:ALA129 3.6 17.6 1.0
CG1 A:ILE153 3.6 23.8 1.0
C A:ALA129 4.0 16.4 1.0
C2 A:F9F301 4.2 24.8 1.0
C5 A:F9F301 4.2 25.1 1.0
O B:HOH734 4.5 20.5 1.0
N A:ALA129 4.6 14.8 1.0
CG A:LEU127 4.7 16.0 1.0
CD1 A:LEU127 4.8 18.3 1.0
O A:HOH568 4.8 39.3 1.0
CB A:ILE153 4.9 19.4 1.0
O A:HOH611 4.9 25.4 1.0

Fluorine binding site 3 out of 3 in 7kyt

Go back to Fluorine Binding Sites List in 7kyt
Fluorine binding site 3 out of 3 in the The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:27.4
occ:1.00
 F11 A:F9F301 0.0 27.4 1.0
C8 A:F9F301 1.3 28.5 1.0
F9F A:F9F301 2.1 27.6 1.0
F10 A:F9F301 2.1 27.2 1.0
O7 A:F9F301 2.2 27.0 1.0
C1 A:F9F301 2.8 25.5 1.0
C6 A:F9F301 2.9 28.2 1.0
O A:HOH611 3.3 25.4 1.0
O B:HOH734 3.7 20.5 1.0
CD1 A:ILE153 3.7 25.2 1.0
CZ A:PHE212 3.7 21.1 1.0
CG1 A:ILE153 3.9 23.8 1.0
CE1 A:PHE212 3.9 21.7 1.0
C2 A:F9F301 4.1 24.8 1.0
O B:HOH687 4.1 22.6 1.0
C5 A:F9F301 4.2 25.1 1.0
CD1 A:LEU177 4.2 26.8 1.0
CG2 A:ILE153 4.4 21.2 1.0
CE2 A:PHE212 4.7 21.1 1.0
CB A:ILE153 4.7 19.4 1.0
CD2 A:LEU177 4.8 20.8 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution. To Be Published.
Page generated: Fri Aug 2 08:35:18 2024

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