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Caesium in PDB 6x0c: Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site

Enzymatic activity of Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site

All present enzymatic activity of Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site, PDB code: 6x0c was solved by E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.39 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.133, 59.336, 67.419, 90, 95.11, 90
R / Rfree (%) 16.4 / 20.2

Other elements in 6x0c:

The structure of Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site (pdb code 6x0c). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site, PDB code: 6x0c:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 6x0c

Go back to Caesium Binding Sites List in 6x0c
Caesium binding site 1 out of 3 in the Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole 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 Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs811

b:26.5
occ:0.85
O B:HOH1181 2.8 46.5 1.0
O B:THR71 3.0 19.2 1.0
O B:THR69 3.1 23.2 1.0
O B:HOH973 3.2 35.8 1.0
OG1 B:THR66 3.3 23.0 1.0
O B:THR66 3.3 24.8 1.0
O B:HOH1259 3.3 50.6 1.0
O B:HOH1089 3.7 41.6 1.0
CB B:THR66 3.9 20.9 1.0
O B:HOH1216 3.9 36.6 1.0
C B:THR66 3.9 22.3 1.0
C B:THR71 4.1 17.6 1.0
C B:THR69 4.1 22.1 1.0
OG1 B:THR69 4.3 20.2 1.0
N B:THR71 4.5 18.5 1.0
CA B:THR66 4.6 22.2 1.0
N B:ALA67 4.6 24.5 1.0
O B:HOH951 4.6 52.0 1.0
N B:THR69 4.7 23.0 1.0
O B:HOH954 4.8 18.9 1.0
O B:HOH1127 4.8 50.0 1.0
CA B:ALA67 4.8 27.1 1.0
C B:ARG70 4.9 22.3 1.0
N B:ARG70 4.9 21.3 1.0
N B:THR72 4.9 17.7 1.0
CA B:THR69 4.9 23.3 1.0
CA B:ARG70 4.9 22.1 1.0
CA B:THR71 4.9 16.3 1.0
N B:GLY68 5.0 30.3 1.0
OG1 B:THR72 5.0 21.7 1.0

Caesium binding site 2 out of 3 in 6x0c

Go back to Caesium Binding Sites List in 6x0c
Caesium binding site 2 out of 3 in the Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole 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 Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs812

b:26.2
occ:0.72
CS B:CS812 0.0 26.2 0.7
CS B:CS812 1.9 27.8 0.3
O B:GLY232 2.9 28.5 1.0
O B:PHE306 2.9 26.5 1.0
O B:GLY268 3.0 17.9 1.0
O B:SER308 3.5 19.8 1.0
O B:LEU304 3.5 23.3 1.0
O B:VAL231 3.7 19.8 1.0
C B:GLY232 3.8 21.0 1.0
CA B:GLY232 3.9 19.3 1.0
C B:PHE306 4.0 24.4 1.0
C B:GLY268 4.0 18.9 1.0
CD B:PRO270 4.1 18.1 1.0
N B:PHE306 4.3 24.5 1.0
CD B:PRO257 4.3 17.4 1.0
CB B:PHE306 4.4 25.9 1.0
CA B:PHE306 4.4 25.4 1.0
CG B:PRO270 4.4 20.2 1.0
C B:VAL231 4.5 18.0 1.0
CG B:PRO257 4.5 17.6 1.0
C B:LEU304 4.6 20.2 1.0
CA B:GLY268 4.6 20.1 1.0
C B:SER308 4.6 18.7 1.0
N B:GLY232 4.7 18.4 1.0
OE2 B:GLU256 4.8 20.5 1.0
CD2 B:PHE306 4.8 30.0 1.0
N B:SER308 4.9 23.1 1.0

Caesium binding site 3 out of 3 in 6x0c

Go back to Caesium Binding Sites List in 6x0c
Caesium binding site 3 out of 3 in the Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole 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 Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Aminoacrylate and Benzimidazole at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs812

b:27.8
occ:0.28
CS B:CS812 0.0 27.8 0.3
CS B:CS812 1.9 26.2 0.7
OE2 B:GLU256 3.2 20.5 1.0
O B:GLY232 3.3 28.5 1.0
O B:VAL231 3.3 19.8 1.0
O B:GLY268 3.4 17.9 1.0
O B:SER308 3.4 19.8 1.0
CD B:PRO270 3.7 18.1 1.0
CG B:PRO270 4.0 20.2 1.0
CG1 B:VAL231 4.1 18.4 1.0
C B:GLY232 4.1 21.0 1.0
C B:VAL231 4.1 18.0 1.0
CB B:VAL309 4.1 19.0 1.0
CD B:GLU256 4.2 19.4 1.0
CG B:GLU256 4.2 18.4 1.0
CG2 B:VAL309 4.3 20.2 1.0
CA B:GLY232 4.4 19.3 1.0
C B:SER308 4.4 18.7 1.0
O B:PHE306 4.4 26.5 1.0
C B:GLY268 4.5 18.9 1.0
CB B:GLU256 4.6 17.0 1.0
CD B:PRO257 4.6 17.4 1.0
N B:GLY232 4.6 18.4 1.0
CB B:VAL231 4.7 17.8 1.0
CA B:VAL309 4.7 18.0 1.0
N B:PRO270 4.8 19.4 1.0
CA B:ALA269 5.0 17.0 1.0

Reference:

E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller. External Aldimine Form of Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site and Benzimidazole at the Enzyme Beta Site. To Be Published.
Page generated: Sat Apr 3 14:49:24 2021

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