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Caesium in PDB 7lv5: 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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution, PDB code: 7lv5 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) 39.14 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.149, 59.18, 67.354, 90, 94.81, 90
R / Rfree (%) 12.9 / 17.9

Other elements in 7lv5:

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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Fluorine (F) 3 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution (pdb code 7lv5). 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution, PDB code: 7lv5:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 7lv5

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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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs306

b:15.8
occ:0.60
 O A:HOH540 3.0 31.1 1.0
O A:ALA265 3.0 17.2 1.0
O A:ARG267 3.1 25.6 1.0
OG A:SER221 3.2 7.5 0.3
O A:HOH519 3.5 24.1 1.0
CB A:SER221 3.9 20.9 0.7
CB A:SER221 4.0 10.5 0.3
C A:ALA265 4.0 14.4 1.0
O A:HOH568 4.0 29.5 1.0
C A:ARG267 4.1 26.9 1.0
N A:ARG267 4.5 19.5 1.0
CA A:SER221 4.6 12.8 0.3
CA A:SER221 4.6 18.0 0.7
C A:SER266 4.6 17.1 1.0
CA A:ALA265 4.8 15.9 1.0
N A:SER266 4.9 15.5 1.0
CA A:ALA268 4.9 35.7 1.0
N A:ALA268 5.0 31.7 1.0
CA A:SER266 5.0 16.5 1.0
O A:SER266 5.0 21.3 1.0

Caesium binding site 2 out of 5 in 7lv5

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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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs402

b:19.7
occ:0.70
 O B:HOH827 2.6 47.1 1.0
O B:THR71 3.0 14.5 1.0
O B:THR69 3.1 15.5 1.0
O B:THR66 3.2 14.8 1.0
O B:HOH577 3.2 28.3 1.0
OG1 B:THR66 3.2 14.9 1.0
O B:HOH746 3.5 40.2 1.0
CB B:THR66 3.8 11.8 1.0
C B:THR66 3.9 12.3 1.0
O B:HOH684 3.9 56.9 1.0
O B:HOH857 3.9 33.5 1.0
C B:THR69 4.1 15.3 1.0
C B:THR71 4.1 12.3 1.0
OG1 B:THR69 4.3 12.5 1.0
CA B:THR66 4.5 11.4 1.0
N B:THR69 4.5 14.7 1.0
N B:THR71 4.5 11.9 1.0
N B:ALA67 4.5 14.0 1.0
CA B:ALA67 4.7 15.8 1.0
O B:HOH653 4.7 12.9 1.0
CA B:THR69 4.8 14.6 1.0
N B:GLY68 4.9 18.7 1.0
N B:ARG70 4.9 14.3 0.4
N B:ARG70 4.9 13.5 0.6
N B:THR72 5.0 10.0 1.0
CA B:THR71 5.0 11.2 1.0
C B:ARG70 5.0 12.2 0.4
C B:ARG70 5.0 11.8 0.6

Caesium binding site 3 out of 5 in 7lv5

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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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:24.6
occ:0.50
 CS B:CS403 0.0 24.6 0.5
CS B:CS403 1.9 32.1 0.5
O B:GLY232 2.9 21.0 1.0
OE2 B:GLU256 3.2 13.3 1.0
O B:VAL231 3.3 12.2 1.0
O B:GLY268 3.3 14.2 1.0
O B:SER308 3.4 12.2 1.0
CD B:PRO270 3.6 10.3 1.0
CG B:PRO270 3.9 13.0 1.0
C B:GLY232 4.0 12.3 1.0
C B:VAL231 4.1 9.4 1.0
CD B:GLU256 4.1 12.8 1.0
CG B:GLU256 4.1 10.8 1.0
CG1 B:VAL231 4.2 10.6 1.0
CA B:GLY232 4.3 11.2 1.0
CB B:VAL309 4.4 11.3 1.0
C B:GLY268 4.4 12.8 1.0
O B:PHE306 4.5 22.2 1.0
CG2 B:VAL309 4.5 11.3 1.0
C B:SER308 4.5 10.1 1.0
CB B:GLU256 4.6 9.4 1.0
CD B:PRO257 4.6 9.9 1.0
N B:GLY232 4.6 9.7 1.0
N B:PRO270 4.7 11.6 1.0
CB B:VAL231 4.8 8.5 1.0
CA B:VAL309 4.8 10.5 1.0
CA B:ALA269 4.9 12.5 1.0

Caesium binding site 4 out of 5 in 7lv5

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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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:32.1
occ:0.50
 CS B:CS403 0.0 32.1 0.5
CS B:CS403 1.9 24.6 0.5
O B:PHE306 2.9 22.2 1.0
O B:GLY232 2.9 21.0 1.0
O B:GLY268 3.2 14.2 1.0
O B:SER308 3.4 12.2 1.0
O B:LEU304 3.6 20.0 1.0
C B:GLY232 3.7 12.3 1.0
O B:VAL231 3.9 12.2 1.0
CA B:GLY232 3.9 11.2 1.0
CD B:PRO270 4.0 10.3 1.0
C B:PHE306 4.0 18.7 1.0
OG B:SER297 4.2 28.3 1.0
C B:GLY268 4.2 12.8 1.0
CG B:PRO270 4.3 13.0 1.0
N B:PHE306 4.5 20.5 1.0
CD B:PRO257 4.6 9.9 1.0
C B:LEU304 4.6 18.6 1.0
C B:SER308 4.6 10.1 1.0
C B:VAL231 4.7 9.4 1.0
CA B:PHE306 4.7 18.9 1.0
CA B:GLY268 4.7 11.9 1.0
CG B:PRO257 4.7 9.0 1.0
N B:GLY232 4.8 9.7 1.0
CB B:PHE306 4.8 19.3 1.0
N B:SER308 4.9 13.1 1.0
OE2 B:GLU256 4.9 13.3 1.0
CB B:SER297 4.9 27.2 1.0
N B:GLY233 4.9 12.7 1.0

Caesium binding site 5 out of 5 in 7lv5

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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 L-Histidine at the Enzyme Beta-Site at 1.55 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs411

b:35.1
occ:0.40
 O B:GLY54 3.2 15.2 1.0
O B:PRO56 3.2 13.1 1.0
O B:HOH650 3.3 35.6 1.0
O B:HOH763 3.8 17.8 1.0
O B:HOH672 4.0 23.1 1.0
C B:GLY54 4.2 11.4 1.0
C B:PRO56 4.4 10.6 1.0
C B:ARG55 4.8 9.8 1.0
N B:PRO56 4.9 10.4 1.0
CA B:GLY54 4.9 12.0 1.0
O B:HOH946 4.9 51.0 1.0
O B:HOH545 4.9 39.1 1.0
O B:ARG55 5.0 11.3 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution To Be Published.
Page generated: Tue Jul 30 21:17:04 2024

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