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Caesium in PDB 7kwv: 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 and Cesium Ion at the Metal Coordination Site at 1.30 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 and Cesium Ion at the Metal Coordination Site at 1.30 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 and Cesium Ion at the Metal Coordination Site at 1.30 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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution, PDB code: 7kwv 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) 28.76 / 1.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.189, 59.73, 67.54, 90, 94.63, 90
R / Rfree (%) 15.8 / 19.9

Other elements in 7kwv:

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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution (pdb code 7kwv). 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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution, PDB code: 7kwv:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 7kwv

Go back to Caesium Binding Sites List in 7kwv
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 and Cesium Ion at the Metal Coordination Site at 1.30 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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs508

b:16.2
occ:0.63
 CS B:CS508 0.0 16.2 0.6
CS B:CS508 1.8 17.4 0.4
O B:PHE306 3.0 15.4 1.0
O B:GLY268 3.0 11.1 1.0
O B:GLY232 3.2 16.1 1.0
O B:SER308 3.3 13.0 1.0
O B:LEU304 3.5 13.7 1.0
O B:VAL231 3.7 12.8 1.0
C B:GLY232 3.8 12.4 1.0
CA B:GLY232 3.9 12.4 1.0
C B:PHE306 4.0 14.1 1.0
C B:GLY268 4.1 10.1 1.0
CD B:PRO270 4.2 13.5 1.0
CB B:PHE306 4.2 17.2 1.0
CD B:PRO257 4.4 9.9 1.0
N B:PHE306 4.4 13.9 1.0
C B:SER308 4.5 11.2 1.0
CA B:PHE306 4.5 14.9 1.0
C B:VAL231 4.5 11.8 1.0
C B:LEU304 4.5 11.2 1.0
CG B:PRO270 4.6 15.8 1.0
CG B:PRO257 4.6 9.7 1.0
CA B:GLY268 4.6 10.9 1.0
CD2 B:PHE306 4.7 18.7 1.0
N B:GLY232 4.7 11.8 1.0
N B:SER308 4.8 12.4 1.0
OE2 B:GLU256 4.9 15.9 1.0
N B:GLY233 4.9 13.2 1.0
CG B:PHE306 5.0 18.1 1.0

Caesium binding site 2 out of 3 in 7kwv

Go back to Caesium Binding Sites List in 7kwv
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 and Cesium Ion at the Metal Coordination Site at 1.30 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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs508

b:17.4
occ:0.37
 CS B:CS508 0.0 17.4 0.4
CS B:CS508 1.8 16.2 0.6
O B:GLY232 3.1 16.1 1.0
O B:GLY268 3.3 11.1 1.0
O B:VAL231 3.3 12.8 1.0
O B:SER308 3.3 13.0 1.0
OE2 B:GLU256 3.3 15.9 1.0
CD B:PRO270 3.8 13.5 1.0
C B:GLY232 4.0 12.4 1.0
CG B:PRO270 4.0 15.8 1.0
CB B:VAL309 4.1 13.1 1.0
C B:VAL231 4.1 11.8 1.0
CG2 B:VAL309 4.2 14.7 1.0
CD B:GLU256 4.2 14.8 1.0
CG1 B:VAL231 4.2 12.1 1.0
CG B:GLU256 4.3 14.2 1.0
CA B:GLY232 4.3 12.4 1.0
C B:SER308 4.3 11.2 1.0
C B:GLY268 4.4 10.1 1.0
O B:PHE306 4.4 15.4 1.0
CD B:PRO257 4.6 9.9 1.0
CA B:VAL309 4.6 11.9 1.0
CB B:GLU256 4.6 11.1 1.0
N B:GLY232 4.6 11.8 1.0
CB B:VAL231 4.8 11.4 1.0
N B:PRO270 4.9 12.1 1.0
N B:VAL309 4.9 11.8 1.0
CA B:ALA269 5.0 10.0 1.0

Caesium binding site 3 out of 3 in 7kwv

Go back to Caesium Binding Sites List in 7kwv
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 and Cesium Ion at the Metal Coordination Site at 1.30 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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs509

b:25.7
occ:0.56
 O B:HOH946 2.8 55.8 1.0
O B:THR71 3.0 13.6 1.0
O B:HOH681 3.1 42.7 1.0
O B:THR69 3.2 16.4 1.0
O B:THR66 3.2 16.5 1.0
OG1 B:THR66 3.4 17.4 1.0
O B:HOH989 3.6 43.8 1.0
CB B:THR66 3.8 14.8 1.0
C B:THR66 3.9 15.2 1.0
C B:THR71 4.1 11.4 1.0
C B:THR69 4.2 13.3 1.0
OG1 B:THR69 4.2 12.5 1.0
N B:THR71 4.5 11.9 1.0
CA B:THR66 4.5 14.2 1.0
O B:HOH898 4.6 45.9 1.0
N B:THR69 4.6 16.2 1.0
N B:ALA67 4.7 15.8 1.0
O B:HOH798 4.7 16.7 1.0
CA B:ALA67 4.8 18.3 1.0
C B:ARG70 4.9 12.4 0.5
CA B:THR69 4.9 13.6 1.0
N B:THR72 4.9 11.2 1.0
CA B:THR71 4.9 11.2 1.0
C B:ARG70 4.9 12.6 0.5
N B:ARG70 5.0 12.8 0.5
N B:ARG70 5.0 12.6 0.5
CA B:ARG70 5.0 12.6 0.5
CA B:ARG70 5.0 12.7 0.5

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 and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution. To Be Published.
Page generated: Sun Jul 13 23:12:42 2025

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