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Caesium 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:

Fluorine (F) 3 atoms

Caesium Binding Sites:

The binding sites of Caesium 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 Caesium atom.
In total 3 binding sites of Caesium 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 Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 7kyt

Go back to Caesium Binding Sites List in 7kyt
Caesium 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 Caesium with other atoms in the Cs 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
B:Cs401

b:26.3
occ:0.45
CS B:CS401 0.0 26.3 0.5
CS B:CS401 2.5 90.2 0.6
O B:THR71 3.0 15.8 1.0
O B:THR69 3.2 18.9 1.0
O B:THR66 3.3 19.2 1.0
OG1 B:THR66 3.4 19.7 1.0
O B:HOH815 3.6 52.4 1.0
CB B:THR66 3.8 16.4 1.0
C B:THR66 4.0 17.2 1.0
C B:THR71 4.1 13.8 1.0
C B:THR69 4.2 16.9 1.0
OG1 B:THR69 4.2 16.6 1.0
N B:THR71 4.4 14.2 1.0
CA B:THR66 4.6 16.1 1.0
O B:HOH541 4.7 56.1 1.0
N B:THR69 4.7 18.2 1.0
N B:ALA67 4.7 17.5 1.0
O B:HOH523 4.8 18.3 1.0
C B:ARG70 4.8 15.9 0.4
C B:ARG70 4.8 16.2 0.6
CA B:ALA67 4.9 19.2 1.0
CA B:THR71 4.9 13.5 1.0
N B:THR72 4.9 13.3 1.0
CA B:ARG70 4.9 17.1 0.6
N B:ARG70 4.9 16.7 0.4
CA B:ARG70 4.9 16.8 0.4
CA B:THR69 4.9 17.8 1.0
N B:ARG70 4.9 17.2 0.6
NH1 B:ARG70 5.0 31.1 0.4

Caesium binding site 2 out of 3 in 7kyt

Go back to Caesium Binding Sites List in 7kyt
Caesium 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 Caesium with other atoms in the Cs 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
B:Cs401

b:90.2
occ:0.55
CS B:CS401 0.0 90.2 0.6
CS B:CS401 2.5 26.3 0.5
NH1 B:ARG70 3.0 31.1 0.4
O B:THR69 3.8 18.9 1.0
OG1 B:THR72 4.0 17.1 1.0
O B:THR71 4.0 15.8 1.0
O B:HOH815 4.2 52.4 1.0
O B:HOH605 4.2 40.8 1.0
O B:HOH592 4.3 48.4 1.0
O B:HOH630 4.3 27.2 1.0
CZ B:ARG70 4.3 28.8 0.4
CA B:ARG70 4.5 17.1 0.6
CA B:ARG70 4.5 16.8 0.4
C B:ARG70 4.5 15.9 0.4
C B:ARG70 4.5 16.2 0.6
C B:THR71 4.5 13.8 1.0
N B:THR71 4.8 14.2 1.0
O B:ARG70 4.8 17.6 0.4
O B:ARG70 4.8 18.4 0.6
C B:THR69 4.8 16.9 1.0
NH2 B:ARG70 5.0 31.2 0.4
N B:THR72 5.0 13.3 1.0

Caesium binding site 3 out of 3 in 7kyt

Go back to Caesium Binding Sites List in 7kyt
Caesium 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 Caesium with other atoms in the Cs 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
B:Cs402

b:19.8
occ:1.00
O B:HOH697 2.7 29.3 1.0
O B:GLY232 2.9 17.7 1.0
O B:PHE306 3.0 15.6 1.0
O B:GLY268 3.1 12.6 1.0
O B:SER308 3.3 14.0 1.0
O B:LEU304 3.4 14.8 1.0
O B:VAL231 3.7 13.3 1.0
C B:GLY232 3.8 13.6 1.0
CA B:GLY232 4.0 12.8 1.0
C B:PHE306 4.0 14.3 1.0
CD B:PRO270 4.1 13.5 1.0
C B:GLY268 4.1 11.1 1.0
CB B:PHE306 4.3 15.2 1.0
N B:PHE306 4.4 13.8 1.0
CD B:PRO257 4.4 10.8 1.0
C B:LEU304 4.5 12.9 1.0
CG B:PRO270 4.5 14.9 1.0
C B:SER308 4.5 11.9 1.0
CA B:PHE306 4.5 13.5 1.0
C B:VAL231 4.6 11.9 1.0
CG B:PRO257 4.6 11.4 1.0
CA B:GLY268 4.6 11.7 1.0
N B:GLY232 4.8 12.8 1.0
N B:SER308 4.9 12.7 1.0
CD2 B:PHE306 4.9 15.6 1.0
OE2 B:GLU256 5.0 16.0 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 Dec 24 05:49:27 2021

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