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Caesium in PDB 7lvx: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution, PDB code: 7lvx 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) 29.54 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.103, 59.088, 67.16, 90, 94.47, 90
R / Rfree (%) 14.3 / 18.9

Other elements in 7lvx:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms
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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution (pdb code 7lvx). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution, PDB code: 7lvx:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 7lvx

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Caesium binding site 1 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs308

b:11.5
occ:0.50
 O A:ALA265 3.1 13.8 1.0
OG A:SER221 3.2 14.1 0.6
O A:ARG267 3.2 20.9 1.0
O A:HOH565 3.3 25.6 1.0
O A:HOH476 3.5 40.5 1.0
CB A:SER221 3.8 13.3 0.4
C A:ALA265 4.1 12.3 1.0
O A:HOH595 4.1 28.8 1.0
CB A:SER221 4.1 13.4 0.6
C A:ARG267 4.4 20.4 1.0
CA A:SER221 4.5 12.4 0.4
CA A:SER221 4.6 12.5 0.6
N A:ARG267 4.7 16.4 1.0
C A:SER266 4.8 12.9 1.0
CA A:ALA265 4.9 12.3 1.0
O A:HOH438 5.0 31.2 1.0
N A:SER266 5.0 12.4 1.0
OG A:SER221 5.0 13.5 0.4

Caesium binding site 2 out of 9 in 7lvx

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Caesium binding site 2 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs309

b:31.3
occ:0.60
 O A:HOH568 2.3 47.3 1.0
O A:ALA167 3.0 20.7 1.0
O A:GLY170 3.2 21.6 1.0
O A:HIS204 3.5 20.7 1.0
O A:HOH431 3.6 34.3 0.5
O A:HOH663 3.7 30.5 1.0
O A:HOH558 3.9 36.5 1.0
N A:ALA206 4.1 14.5 1.0
C A:ALA167 4.2 18.5 1.0
O A:SER168 4.2 22.2 1.0
NH1 A:ARG171 4.3 29.0 1.0
C A:GLY170 4.4 19.8 1.0
C A:ALA205 4.4 14.2 1.0
CA A:ALA205 4.4 15.3 1.0
CD A:ARG171 4.5 22.5 1.0
C A:HIS204 4.5 19.2 1.0
C A:SER168 4.7 20.6 1.0
CA A:ALA206 4.9 14.6 1.0
CA A:SER168 4.9 19.9 1.0
CZ A:ARG171 4.9 28.4 1.0
N A:ALA205 5.0 16.7 1.0
NE A:ARG171 5.0 28.4 1.0

Caesium binding site 3 out of 9 in 7lvx

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Caesium binding site 3 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs310

b:34.0
occ:0.50
 CS A:CS310 0.0 34.0 0.5
CS A:CS310 2.3 35.9 0.5
O A:HOH687 2.9 42.3 1.0
O A:PHE107 3.0 12.7 1.0
O A:HOH622 3.0 35.3 1.0
O B:HOH807 3.1 29.8 1.0
O A:ASN108 3.5 22.8 1.0
CE2 A:PHE107 3.9 15.0 1.0
N A:GLY110 4.0 13.7 1.0
CZ A:PHE107 4.0 13.2 1.0
C A:ASN108 4.1 16.0 1.0
C A:PHE107 4.1 12.5 1.0
CD2 A:PHE107 4.2 15.6 1.0
CE1 A:PHE107 4.3 15.9 1.0
O B:HOH930 4.4 47.6 1.0
CA A:GLY110 4.4 13.7 1.0
CG A:PHE107 4.5 13.8 1.0
CD1 A:PHE107 4.5 14.8 1.0
C A:ASN109 4.7 18.5 1.0
O A:HOH581 4.7 16.6 1.0
CA A:ASN108 4.7 15.1 1.0
N A:ASN109 4.7 17.5 1.0
N A:ASN108 4.9 14.2 1.0
CA A:ASN109 4.9 21.5 1.0

Caesium binding site 4 out of 9 in 7lvx

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Caesium binding site 4 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs310

b:35.9
occ:0.50
 CS A:CS310 0.0 35.9 0.5
CS A:CS310 2.3 34.0 0.5
O B:HOH807 2.4 29.8 1.0
O B:VAL276 3.0 12.5 1.0
O A:ASN108 3.1 22.8 1.0
O A:HOH497 3.3 17.7 1.0
CE2 A:PHE107 3.4 15.0 1.0
CD2 A:PHE107 3.5 15.6 1.0
O A:PHE107 3.6 12.7 1.0
NH1 B:ARG275 3.8 21.1 1.0
C A:ASN108 3.8 16.0 1.0
CA A:ASN108 3.9 15.1 1.0
CZ A:PHE107 4.1 13.2 1.0
C B:VAL276 4.2 10.3 1.0
C A:PHE107 4.2 12.5 1.0
CG A:PHE107 4.5 13.8 1.0
N A:ASN108 4.5 14.2 1.0
O B:HOH930 4.6 47.6 1.0
O A:HOH622 4.7 35.3 1.0
OD1 A:ASN108 4.8 18.8 1.0
CG B:ARG275 4.9 20.7 1.0
CE1 A:PHE107 4.9 15.9 1.0
CA B:GLY277 4.9 10.0 1.0
N A:ASN109 5.0 17.5 1.0

Caesium binding site 5 out of 9 in 7lvx

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Caesium binding site 5 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs402

b:14.8
occ:1.00
 O B:THR71 3.0 8.8 1.0
O B:THR69 3.1 11.1 1.0
O B:HOH608 3.2 20.2 1.0
O B:THR66 3.2 11.7 1.0
OG1 B:THR66 3.3 10.7 1.0
O B:HOH651 3.3 23.8 1.0
O B:HOH849 3.7 23.8 1.0
C B:THR66 3.9 9.3 1.0
CB B:THR66 3.9 9.1 1.0
C B:THR71 4.1 8.3 1.0
C B:THR69 4.1 9.4 1.0
O B:HOH861 4.2 61.2 1.0
OG1 B:THR69 4.3 9.9 1.0
N B:THR69 4.6 10.8 1.0
N B:THR71 4.6 8.8 1.0
N B:ALA67 4.6 10.8 1.0
CA B:THR66 4.6 9.7 1.0
CA B:ALA67 4.7 12.8 1.0
O B:HOH656 4.7 10.0 1.0
N B:GLY68 4.8 14.1 1.0
CA B:THR69 4.9 9.7 1.0
C B:ARG70 4.9 9.2 1.0
N B:ARG70 4.9 9.2 1.0
N B:THR72 4.9 9.4 1.0
CA B:ARG70 4.9 9.8 1.0
CA B:THR71 5.0 8.4 1.0
OG1 B:THR72 5.0 11.7 1.0

Caesium binding site 6 out of 9 in 7lvx

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Caesium binding site 6 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 6 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:26.7
occ:0.38
 CS B:CS403 0.0 26.7 0.4
CS B:CS403 2.0 24.9 0.3
CS B:CS403 2.3 40.3 0.3
O B:GLY232 3.0 16.5 1.0
OE2 B:GLU256 3.1 11.5 1.0
O B:VAL231 3.2 9.9 1.0
O B:GLY268 3.4 10.6 1.0
O B:SER308 3.6 10.0 1.0
CD B:PRO270 3.7 9.4 1.0
CG B:PRO270 3.8 9.4 1.0
C B:GLY232 3.9 11.0 1.0
CG1 B:VAL231 4.0 10.0 1.0
CD B:GLU256 4.0 11.3 1.0
C B:VAL231 4.0 9.3 1.0
CG B:GLU256 4.0 9.9 1.0
CB B:VAL309 4.1 9.7 1.0
CG2 B:VAL309 4.2 9.7 1.0
CA B:GLY232 4.3 10.4 1.0
N B:GLY232 4.5 9.9 1.0
CB B:GLU256 4.5 9.7 1.0
C B:SER308 4.6 9.4 1.0
C B:GLY268 4.6 9.5 1.0
CB B:VAL231 4.6 9.1 1.0
O B:PHE306 4.7 17.5 1.0
CD B:PRO257 4.7 9.5 1.0
N B:PRO270 4.7 9.9 1.0
CA B:VAL309 4.7 9.5 1.0
CA B:VAL231 5.0 8.3 1.0
CA B:ALA269 5.0 9.9 1.0

Caesium binding site 7 out of 9 in 7lvx

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Caesium binding site 7 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 7 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:24.9
occ:0.30
 CS B:CS403 0.0 24.9 0.3
CS B:CS403 1.3 40.3 0.3
CS B:CS403 2.0 26.7 0.4
O B:GLY232 2.4 16.5 1.0
O B:PHE306 2.8 17.5 1.0
O B:SER308 2.9 10.0 1.0
O B:GLY268 3.4 10.6 1.0
C B:GLY232 3.4 11.0 1.0
CD B:PRO270 3.9 9.4 1.0
C B:PHE306 3.9 17.0 1.0
CA B:GLY232 3.9 10.4 1.0
CG B:PRO270 4.0 9.4 1.0
C B:SER308 4.0 9.4 1.0
O B:LEU304 4.1 19.5 1.0
O B:VAL231 4.1 9.9 1.0
OG B:SER297 4.2 22.1 1.0
N B:SER308 4.4 13.4 1.0
C B:GLY268 4.6 9.5 1.0
N B:GLY233 4.6 9.4 1.0
CA B:PHE306 4.7 17.4 1.0
N B:PHE306 4.7 17.7 1.0
CB B:PHE306 4.7 17.7 1.0
OE2 B:GLU256 4.7 11.5 1.0
C B:VAL231 4.8 9.3 1.0
N B:GLY232 4.8 9.9 1.0
CA B:SER308 4.8 10.1 1.0
C B:PRO307 4.9 14.8 1.0
N B:PRO307 4.9 17.5 1.0
CD2 B:PHE306 4.9 16.1 1.0
CB B:VAL309 5.0 9.7 1.0
N B:VAL309 5.0 9.9 1.0
CA B:PRO307 5.0 15.6 1.0

Caesium binding site 8 out of 9 in 7lvx

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Caesium binding site 8 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 8 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:40.3
occ:0.32
 CS B:CS403 0.0 40.3 0.3
CS B:CS403 1.3 24.9 0.3
CS B:CS403 2.3 26.7 0.4
O B:GLY268 2.7 10.6 1.0
O B:GLY232 3.1 16.5 1.0
O B:LEU304 3.2 19.5 1.0
O B:PHE306 3.3 17.5 1.0
O B:VAL231 3.7 9.9 1.0
C B:GLY268 3.8 9.5 1.0
OG B:SER297 3.8 22.1 1.0
C B:GLY232 3.9 11.0 1.0
CA B:GLY232 3.9 10.4 1.0
CD B:PRO257 4.0 9.5 1.0
CD B:PRO270 4.1 9.4 1.0
O B:SER308 4.1 10.0 1.0
CG B:PRO257 4.2 9.8 1.0
C B:LEU304 4.2 17.9 1.0
CA B:GLY268 4.3 10.1 1.0
C B:PHE306 4.4 17.0 1.0
CG B:PRO270 4.5 9.4 1.0
C B:VAL231 4.6 9.3 1.0
CB B:SER297 4.7 24.5 1.0
N B:PHE306 4.7 17.7 1.0
N B:GLY232 4.7 9.9 1.0
OE2 B:GLU256 4.9 11.5 1.0
N B:ALA269 4.9 9.7 1.0
CA B:LEU304 5.0 14.4 1.0

Caesium binding site 9 out of 9 in 7lvx

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Caesium binding site 9 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination 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 9 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs413

b:21.4
occ:0.40
 O B:PRO56 3.1 9.7 1.0
O B:GLY54 3.4 11.7 1.0
O B:HOH596 3.8 23.3 1.0
O B:HOH852 4.0 10.5 0.4
O B:HOH745 4.1 16.6 1.0
O B:HOH852 4.2 13.0 0.6
C B:PRO56 4.3 8.6 1.0
C B:GLY54 4.4 8.9 1.0
N B:PRO56 4.5 9.5 1.0
CD B:PRO56 4.7 10.4 1.0
C B:ARG55 4.7 8.6 1.0
O B:ARG55 4.9 9.7 1.0
CG B:PRO56 4.9 10.3 1.0
O B:HOH937 5.0 30.8 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 N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution. To Be Published.
Page generated: Tue Jul 30 21:18:08 2024

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