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Caesium in PDB 7ltp: The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution

Enzymatic activity of The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution:
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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution, PDB code: 7ltp 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) 39.16 / 1.47
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.414, 59.223, 67.186, 90, 94.84, 90
R / Rfree (%) 13.3 / 16.7

Other elements in 7ltp:

The structure of The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 2 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution (pdb code 7ltp). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution, PDB code: 7ltp:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 7ltp

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Caesium binding site 1 out of 5 in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 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 Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs302

b:16.1
occ:0.46
 O A:ARG267 3.0 30.7 1.0
O A:ALA265 3.1 19.9 1.0
OG A:SER221 3.1 20.1 0.6
O A:HOH514 3.4 27.9 1.0
O A:HOH460 3.5 33.9 0.5
O A:HOH553 3.9 34.7 1.0
O A:HOH452 3.9 41.5 1.0
CB A:SER221 3.9 22.5 0.5
C A:ALA265 4.0 18.8 1.0
CB A:SER221 4.1 19.8 0.6
C A:ARG267 4.1 30.7 1.0
N A:ARG267 4.5 24.0 1.0
CA A:SER221 4.6 20.7 0.5
CA A:SER221 4.6 19.9 0.6
C A:SER266 4.7 20.6 1.0
CA A:ALA265 4.8 19.0 1.0
N A:SER266 4.9 19.1 1.0
O A:HOH460 5.0 31.8 0.5
N A:ALA268 5.0 35.1 1.0
CA A:ALA268 5.0 40.4 1.0
CA A:ARG267 5.0 26.4 1.0

Caesium binding site 2 out of 5 in 7ltp

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Caesium binding site 2 out of 5 in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 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 Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:17.4
occ:0.57
 O B:HOH837 3.0 46.5 1.0
O B:THR71 3.0 12.8 1.0
O B:HOH582 3.1 27.7 1.0
O B:THR69 3.1 16.3 1.0
O B:THR66 3.2 14.9 1.0
OG1 B:THR66 3.3 15.8 1.0
O B:HOH788 3.5 36.7 1.0
O B:HOH532 3.5 35.7 1.0
CB B:THR66 3.8 13.0 1.0
C B:THR66 3.8 13.8 1.0
O B:HOH841 3.9 25.8 1.0
C B:THR69 4.1 13.8 1.0
C B:THR71 4.1 10.7 1.0
O B:HOH930 4.2 62.5 1.0
OG1 B:THR69 4.2 13.4 1.0
CA B:THR66 4.5 13.7 1.0
N B:ALA67 4.5 15.4 1.0
N B:THR71 4.5 11.5 1.0
N B:THR69 4.5 14.8 1.0
CA B:ALA67 4.7 16.6 1.0
O B:HOH600 4.7 13.1 1.0
CA B:THR69 4.8 14.2 1.0
N B:GLY68 4.9 19.2 1.0
N B:ARG70 4.9 12.9 0.4
N B:ARG70 4.9 12.4 0.6
C B:ARG70 4.9 11.7 0.4
C B:ARG70 4.9 11.5 0.6
N B:THR72 5.0 10.3 1.0
CA B:ARG70 5.0 12.8 0.6
CA B:THR71 5.0 10.7 1.0
CA B:ARG70 5.0 13.4 0.4

Caesium binding site 3 out of 5 in 7ltp

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Caesium binding site 3 out of 5 in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 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 Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:30.7
occ:0.36
 O B:GLY54 3.2 15.4 1.0
O B:PRO56 3.2 12.2 1.0
O B:HOH689 3.4 37.6 1.0
O B:HOH779 3.8 18.2 1.0
O B:HOH645 4.1 22.8 1.0
O B:HOH722 4.2 32.9 1.0
C B:GLY54 4.2 11.9 1.0
C B:PRO56 4.4 10.3 1.0
C B:ARG55 4.8 9.8 1.0
N B:PRO56 4.9 10.0 1.0
CA B:GLY54 4.9 11.4 1.0
O B:ARG55 5.0 11.3 1.0
O B:HOH523 5.0 32.3 1.0

Caesium binding site 4 out of 5 in 7ltp

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Caesium binding site 4 out of 5 in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs411

b:26.6
occ:0.20
 CS B:CS411 0.0 26.6 0.2
CS B:CS411 2.4 12.1 0.8
OE2 B:GLU256 3.0 11.0 1.0
O B:VAL231 3.1 11.5 1.0
O B:GLY268 3.5 10.3 1.0
O B:GLY232 3.5 18.7 1.0
CD B:PRO270 3.7 10.2 1.0
CG1 B:VAL231 3.8 11.2 1.0
O B:SER308 3.9 11.3 1.0
CD B:GLU256 3.9 10.7 1.0
CG B:GLU256 3.9 10.4 1.0
C B:VAL231 4.0 10.0 1.0
CG B:PRO270 4.0 11.1 1.0
CB B:VAL309 4.0 11.1 1.0
CG2 B:VAL309 4.1 11.7 1.0
CB B:GLU256 4.3 9.3 1.0
C B:GLY232 4.3 11.7 1.0
CB B:VAL231 4.4 9.6 1.0
CD B:PRO257 4.5 9.8 1.0
C B:GLY268 4.6 10.3 1.0
CA B:GLY232 4.6 10.4 1.0
N B:GLY232 4.7 9.6 1.0
N B:PRO270 4.7 11.1 1.0
CA B:GLU256 4.8 8.8 1.0
CA B:VAL309 4.8 10.1 1.0
C B:SER308 4.8 10.9 1.0
CA B:VAL231 4.8 9.1 1.0
CA B:ALA269 4.9 9.8 1.0

Caesium binding site 5 out of 5 in 7ltp

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Caesium binding site 5 out of 5 in the The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs411

b:12.1
occ:0.80
 CS B:CS411 0.0 12.1 0.8
CS B:CS411 2.4 26.6 0.2
O B:GLY232 2.8 18.7 1.0
O B:PHE306 3.0 13.1 1.0
O B:GLY268 3.1 10.3 1.0
O B:SER308 3.3 11.3 1.0
O B:LEU304 3.3 11.9 1.0
C B:GLY232 3.8 11.7 1.0
O B:VAL231 3.9 11.5 1.0
CD B:PRO270 3.9 10.2 1.0
C B:PHE306 4.0 13.0 1.0
C B:GLY268 4.1 10.3 1.0
CA B:GLY232 4.1 10.4 1.0
N B:PHE306 4.2 12.8 1.0
CG B:PRO270 4.3 11.1 1.0
CB B:PHE306 4.4 13.1 1.0
C B:LEU304 4.4 10.7 1.0
CA B:PHE306 4.4 12.7 1.0
C B:SER308 4.5 10.9 1.0
CD B:PRO257 4.5 9.8 1.0
CA B:GLY268 4.6 11.1 1.0
CG B:PRO257 4.7 10.2 1.0
C B:VAL231 4.7 10.0 1.0
N B:SER308 4.8 11.1 1.0
N B:GLY232 4.9 9.6 1.0
OE2 B:GLU256 5.0 11.0 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution. To Be Published.
Page generated: Tue Jul 30 21:17:04 2024

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