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Caesium in PDB 7kbn: 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site

Enzymatic activity of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site

All present enzymatic activity of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site:
4.2.1.20;

Protein crystallography data

The structure of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 7kbn 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) 29.31 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.09, 60.59, 67.33, 90, 94.63, 90
R / Rfree (%) 17.1 / 19.6

Other elements in 7kbn:

The structure of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 8 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site (pdb code 7kbn). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 7kbn:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 7kbn

Go back to Caesium Binding Sites List in 7kbn
Caesium binding site 1 out of 4 in the 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs429

b:19.4
occ:0.47
 CS B:CS429 0.0 19.4 0.5
CS B:CS429 1.3 68.4 0.5
O B:THR71 3.0 20.6 1.0
O B:THR69 3.1 24.9 1.0
O B:HOH631 3.1 39.4 1.0
OG1 B:THR66 3.3 24.2 1.0
O B:THR66 3.3 23.5 1.0
O B:HOH829 3.7 47.1 1.0
CB B:THR66 3.8 22.6 1.0
C B:THR66 3.9 25.1 1.0
O B:HOH638 3.9 48.6 1.0
C B:THR71 4.1 18.9 1.0
C B:THR69 4.1 25.8 1.0
OG1 B:THR69 4.2 23.1 1.0
O B:HOH894 4.4 66.6 1.0
N B:THR71 4.4 21.0 1.0
CA B:THR66 4.6 22.3 1.0
N B:THR69 4.6 24.5 1.0
N B:ALA67 4.6 26.4 1.0
O B:HOH538 4.7 19.9 1.0
CA B:ALA67 4.8 25.8 1.0
C B:ARG70 4.8 26.2 0.5
C B:ARG70 4.9 25.9 0.5
CA B:ARG70 4.9 24.4 0.5
CA B:THR71 4.9 19.2 1.0
CA B:THR69 4.9 25.4 1.0
N B:ARG70 4.9 22.1 0.5
N B:ARG70 4.9 22.1 0.5
CA B:ARG70 4.9 24.9 0.5
N B:THR72 4.9 20.2 1.0

Caesium binding site 2 out of 4 in 7kbn

Go back to Caesium Binding Sites List in 7kbn
Caesium binding site 2 out of 4 in the 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs429

b:68.4
occ:0.53
 CS B:CS429 0.0 68.4 0.5
CS B:CS429 1.3 19.4 0.5
O B:THR71 3.3 20.6 1.0
O B:HOH829 3.4 47.1 1.0
O B:THR69 3.5 24.9 1.0
O B:HOH894 3.6 66.6 1.0
O B:HOH631 3.8 39.4 1.0
C B:THR71 4.1 18.9 1.0
OG1 B:THR72 4.2 24.2 1.0
OG1 B:THR66 4.2 24.2 1.0
O B:HOH638 4.5 48.6 1.0
C B:THR69 4.6 25.8 1.0
O B:THR66 4.6 23.5 1.0
N B:THR71 4.6 21.0 1.0
O B:HOH560 4.7 56.0 1.0
N B:THR72 4.7 20.2 1.0
C B:ARG70 4.7 26.2 0.5
C B:ARG70 4.7 25.9 0.5
CA B:ARG70 4.8 24.4 0.5
CA B:ARG70 4.8 24.9 0.5
CA B:THR72 4.8 20.2 1.0
CB B:THR66 4.9 22.6 1.0
O B:HOH538 5.0 19.9 1.0

Caesium binding site 3 out of 4 in 7kbn

Go back to Caesium Binding Sites List in 7kbn
Caesium binding site 3 out of 4 in the 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs430

b:27.6
occ:0.69
 CS B:CS430 0.0 27.6 0.7
CS B:CS430 2.2 28.9 0.3
O B:GLY232 2.8 23.3 1.0
O B:PHE306 3.0 18.0 1.0
O B:GLY268 3.0 19.1 1.0
O B:SER308 3.4 17.9 1.0
O B:LEU304 3.5 18.5 1.0
O B:VAL231 3.6 22.4 1.0
C B:GLY232 3.7 21.0 1.0
CA B:GLY232 3.8 19.7 1.0
C B:PHE306 4.0 23.9 1.0
C B:GLY268 4.0 17.2 1.0
CD B:PRO270 4.2 18.6 1.0
CD B:PRO257 4.3 15.8 1.0
CB B:PHE306 4.3 18.4 1.0
N B:PHE306 4.3 19.4 1.0
C B:VAL231 4.5 20.8 1.0
CA B:PHE306 4.5 21.8 1.0
CG B:PRO257 4.5 17.8 1.0
C B:LEU304 4.5 18.2 1.0
CA B:GLY268 4.5 17.6 1.0
CG B:PRO270 4.5 19.3 1.0
N B:GLY232 4.6 20.6 1.0
C B:SER308 4.6 18.3 1.0
OE2 B:GLU256 4.9 19.8 1.0
CD2 B:PHE306 4.9 21.2 1.0
N B:SER308 4.9 16.9 1.0
N B:GLY233 5.0 20.0 1.0

Caesium binding site 4 out of 4 in 7kbn

Go back to Caesium Binding Sites List in 7kbn
Caesium binding site 4 out of 4 in the 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs430

b:28.9
occ:0.31
 CS B:CS430 0.0 28.9 0.3
CS B:CS430 2.2 27.6 0.7
OE2 B:GLU256 3.1 19.8 1.0
O B:VAL231 3.2 22.4 1.0
O B:GLY268 3.5 19.1 1.0
O B:SER308 3.5 17.9 1.0
O B:GLY232 3.5 23.3 1.0
CG B:GLU256 3.7 20.1 1.0
CG1 B:VAL231 3.8 18.1 1.0
CD B:PRO270 3.8 18.6 1.0
CD B:GLU256 3.9 15.7 1.0
CB B:VAL309 3.9 22.1 1.0
CG2 B:VAL309 3.9 20.7 1.0
CG B:PRO270 4.0 19.3 1.0
C B:VAL231 4.0 20.8 1.0
C B:GLY232 4.2 21.0 1.0
CA B:GLY232 4.5 19.7 1.0
CB B:VAL231 4.5 16.8 1.0
CB B:GLU256 4.5 17.4 1.0
C B:SER308 4.5 18.3 1.0
CA B:VAL309 4.6 20.4 1.0
C B:GLY268 4.6 17.2 1.0
N B:GLY232 4.6 20.6 1.0
CD B:PRO257 4.7 15.8 1.0
O B:PHE306 4.7 18.0 1.0
N B:PRO270 4.8 15.8 1.0
CA B:VAL231 4.9 13.6 1.0
CA B:GLU256 4.9 16.5 1.0
N B:VAL309 5.0 15.5 1.0
CA B:ALA269 5.0 17.7 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. 1.60 Angstrom Resolution Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site. To Be Published.
Page generated: Tue Jul 30 21:11:39 2024

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