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Caesium in PDB 7kqf: The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution, PDB code: 7kqf 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) 39.02 / 1.47
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.851, 58.561, 67.183, 90, 94.62, 90
R / Rfree (%) 12.3 / 15.9

Other elements in 7kqf:

The structure of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 6 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution (pdb code 7kqf). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 6 binding sites of Caesium where determined in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution, PDB code: 7kqf:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6;

Caesium binding site 1 out of 6 in 7kqf

Go back to Caesium Binding Sites List in 7kqf
Caesium binding site 1 out of 6 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 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 Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs308

b:14.0
occ:0.65
 O A:ALA265 3.1 14.1 1.0
O A:ARG267 3.1 24.3 1.0
OG A:SER221 3.2 13.9 0.7
O A:HOH514 3.2 22.4 1.0
O A:HOH533 3.3 33.8 1.0
O A:HOH634 3.6 34.1 1.0
CB A:SER221 3.8 12.8 0.3
O A:HOH495 3.9 29.4 1.0
C A:ALA265 4.1 12.8 1.0
CB A:SER221 4.1 12.8 0.7
C A:ARG267 4.2 23.7 1.0
CA A:SER221 4.5 12.8 0.3
CA A:SER221 4.6 13.1 0.7
N A:ARG267 4.6 17.3 1.0
C A:SER266 4.7 15.9 1.0
CA A:ALA265 4.8 12.8 1.0
N A:SER266 4.9 13.5 1.0
O A:HOH458 4.9 33.6 1.0
OG A:SER221 5.0 13.4 0.3

Caesium binding site 2 out of 6 in 7kqf

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Caesium binding site 2 out of 6 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 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 Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs407

b:23.7
occ:0.50
 O B:HOH909 3.0 45.6 1.0
O B:ASP225 3.1 12.8 1.0
O B:SER249 3.2 17.6 1.0
O B:HOH638 3.3 24.4 1.0
O B:HOH905 3.5 53.1 1.0
O B:HOH914 3.6 33.9 1.0
O B:HOH932 3.9 51.5 1.0
O B:HOH838 4.0 53.6 1.0
C B:ASP225 4.0 11.2 1.0
N B:GLY251 4.2 10.7 1.0
CA B:ASP225 4.3 11.3 1.0
C B:SER249 4.3 15.6 1.0
CB B:ASP225 4.4 12.1 1.0
O B:HOH928 4.5 28.3 1.0
O B:HOH940 4.5 31.8 1.0
O B:HOH729 4.6 52.7 1.0
CA B:GLY251 4.7 10.2 1.0
OD1 B:ASP225 4.8 17.6 1.0
C B:VAL250 4.9 11.5 1.0

Caesium binding site 3 out of 6 in 7kqf

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Caesium binding site 3 out of 6 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 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 Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs408

b:14.9
occ:0.80
 O B:HOH810 3.0 50.0 1.0
O B:THR71 3.0 11.7 1.0
O B:THR69 3.1 13.8 1.0
O B:HOH687 3.1 25.3 1.0
O B:THR66 3.3 13.7 1.0
OG1 B:THR66 3.3 13.8 1.0
O B:HOH740 3.4 30.7 1.0
CB B:THR66 3.9 12.6 1.0
C B:THR66 3.9 11.9 1.0
O B:HOH877 3.9 23.7 1.0
C B:THR69 4.1 12.7 1.0
C B:THR71 4.1 10.8 1.0
OG1 B:THR69 4.3 11.1 1.0
N B:THR71 4.5 10.5 1.0
N B:THR69 4.6 14.1 1.0
N B:ALA67 4.6 13.5 1.0
CA B:THR66 4.6 11.7 1.0
CA B:ALA67 4.7 14.6 1.0
O B:HOH683 4.7 13.0 1.0
N B:GLY68 4.9 16.6 1.0
CA B:THR69 4.9 12.7 1.0
N B:ARG70 4.9 11.8 0.4
N B:ARG70 4.9 11.5 0.6
C B:ARG70 4.9 10.9 0.4
C B:ARG70 4.9 10.6 0.6
N B:THR72 4.9 10.3 1.0
CA B:ARG70 5.0 12.2 0.6
CA B:THR71 5.0 10.6 1.0
CA B:ARG70 5.0 12.3 0.4
OG1 B:THR72 5.0 13.9 1.0

Caesium binding site 4 out of 6 in 7kqf

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Caesium binding site 4 out of 6 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 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 Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:20.7
occ:0.40
 CS B:CS409 0.0 20.7 0.4
CS B:CS409 1.9 28.1 0.3
CS B:CS409 2.5 39.5 0.3
O B:GLY232 2.9 18.3 1.0
OE2 B:GLU256 3.2 13.0 1.0
O B:VAL231 3.2 11.1 1.0
O B:GLY268 3.4 11.7 1.0
O B:SER308 3.5 10.7 1.0
CD B:PRO270 3.7 10.0 1.0
C B:GLY232 3.9 13.0 1.0
CG B:PRO270 3.9 11.3 1.0
C B:VAL231 4.0 9.7 1.0
CD B:GLU256 4.1 12.5 1.0
CG B:GLU256 4.1 11.0 1.0
CG1 B:VAL231 4.1 10.1 1.0
CA B:GLY232 4.3 11.7 1.0
CB B:VAL309 4.3 10.8 1.0
CG2 B:VAL309 4.4 12.5 1.0
N B:GLY232 4.5 10.9 1.0
O B:PHE306 4.5 16.1 1.0
C B:SER308 4.5 10.0 1.0
C B:GLY268 4.5 10.6 1.0
CB B:GLU256 4.6 8.9 1.0
CD B:PRO257 4.6 9.4 1.0
N B:PRO270 4.7 9.9 1.0
CB B:VAL231 4.8 9.3 1.0
CA B:VAL309 4.8 10.3 1.0
CA B:ALA269 4.9 10.0 1.0

Caesium binding site 5 out of 6 in 7kqf

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Caesium binding site 5 out of 6 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 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 Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:28.1
occ:0.30
 CS B:CS409 0.0 28.1 0.3
CS B:CS409 1.6 39.5 0.3
CS B:CS409 1.9 20.7 0.4
O B:GLY232 2.4 18.3 1.0
O B:PHE306 2.7 16.1 1.0
O B:SER308 2.7 10.7 1.0
C B:GLY232 3.5 13.0 1.0
O B:GLY268 3.8 11.7 1.0
C B:PHE306 3.8 15.6 1.0
C B:SER308 3.9 10.0 1.0
CG B:PRO270 3.9 11.3 1.0
CD B:PRO270 3.9 10.0 1.0
CA B:GLY232 4.1 11.7 1.0
O B:VAL231 4.2 11.1 1.0
N B:SER308 4.2 11.3 1.0
OG B:SER297 4.3 22.4 1.0
O B:LEU304 4.5 19.9 1.0
CB B:PHE306 4.5 16.1 1.0
CA B:PHE306 4.6 15.9 1.0
N B:GLY233 4.6 12.4 1.0
N B:PHE306 4.7 15.2 1.0
CA B:SER308 4.7 11.2 1.0
C B:GLY268 4.7 10.6 1.0
CD2 B:PHE306 4.7 15.6 1.0
OE2 B:GLU256 4.8 13.0 1.0
C B:PRO307 4.8 14.2 1.0
N B:PRO307 4.8 14.6 1.0
N B:VAL309 4.8 10.3 1.0
C B:VAL231 4.9 9.7 1.0
CA B:PRO307 4.9 14.8 1.0
N B:GLY232 4.9 10.9 1.0
CA B:VAL309 4.9 10.3 1.0
CB B:VAL309 4.9 10.8 1.0

Caesium binding site 6 out of 6 in 7kqf

Go back to Caesium Binding Sites List in 7kqf
Caesium binding site 6 out of 6 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 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 Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:39.5
occ:0.30
 CS B:CS409 0.0 39.5 0.3
CS B:CS409 1.6 28.1 0.3
CS B:CS409 2.5 20.7 0.4
O B:GLY268 2.8 11.7 1.0
O B:PHE306 3.1 16.1 1.0
O B:LEU304 3.2 19.9 1.0
O B:GLY232 3.3 18.3 1.0
OG B:SER297 3.7 22.4 1.0
C B:GLY268 3.8 10.6 1.0
O B:VAL231 3.9 11.1 1.0
CD B:PRO257 4.1 9.4 1.0
CA B:GLY232 4.1 11.7 1.0
C B:GLY232 4.1 13.0 1.0
CG B:PRO257 4.1 9.4 1.0
C B:LEU304 4.1 16.5 1.0
CD B:PRO270 4.2 10.0 1.0
CA B:GLY268 4.2 11.0 1.0
O B:SER308 4.2 10.7 1.0
CB B:SER297 4.3 22.9 1.0
C B:PHE306 4.3 15.6 1.0
N B:PHE306 4.5 15.2 1.0
CG B:PRO270 4.7 11.3 1.0
C B:VAL231 4.8 9.7 1.0
CA B:LEU304 4.8 13.5 1.0
CB B:LEU304 4.9 12.9 1.0
CA B:PHE306 4.9 15.9 1.0
N B:GLY232 4.9 10.9 1.0
N B:ASP305 4.9 17.9 1.0
N B:ALA269 4.9 9.9 1.0
C B:ASP305 5.0 18.3 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella 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 1.47 Angstrom Resolution. To Be Published.
Page generated: Tue Jul 30 21:14:19 2024

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