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Caesium in PDB 6wx3: High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.

Enzymatic activity of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.

All present enzymatic activity of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.:
4.2.1.20;

Protein crystallography data

The structure of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form., PDB code: 6wx3 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) 36.23 / 1.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.118, 59.06, 67.405, 90, 94.84, 90
R / Rfree (%) 15.5 / 18.1

Other elements in 6wx3:

The structure of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 1 atom

Caesium Binding Sites:

The binding sites of Caesium atom in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. (pdb code 6wx3). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form., PDB code: 6wx3:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 6wx3

Go back to Caesium Binding Sites List in 6wx3
Caesium binding site 1 out of 3 in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs1402

b:25.2
occ:0.70
CS B:CS1402 0.0 25.2 0.7
CS B:CS1402 1.9 16.5 0.3
O B:PHE306 2.7 23.0 0.6
O B:GLY232 3.0 18.1 1.0
O B:GLY268 3.1 10.8 1.0
O B:PHE306 3.2 13.0 0.4
O B:LEU304 3.5 17.3 1.0
O B:SER308 3.6 10.9 1.0
O B:VAL231 3.7 10.7 1.0
C B:PHE306 3.7 21.5 0.6
C B:GLY232 3.7 11.9 1.0
CA B:GLY232 3.9 11.4 1.0
CD B:PRO270 4.1 10.8 1.0
N B:PHE306 4.1 28.0 0.6
C B:GLY268 4.1 9.4 1.0
CA B:PHE306 4.1 24.2 0.6
CB B:PHE306 4.3 29.0 0.6
CD B:PRO257 4.3 8.9 1.0
C B:PHE306 4.3 12.4 0.4
OG B:SER297 4.4 21.4 0.6
O B:ASP305 4.4 26.8 0.5
C B:ASP305 4.4 25.1 0.5
CG B:PRO270 4.5 11.8 1.0
C B:VAL231 4.5 9.0 1.0
C B:LEU304 4.5 16.1 1.0
CG B:PRO257 4.5 9.5 1.0
N B:GLY232 4.6 9.0 1.0
CA B:GLY268 4.7 11.4 1.0
N B:PHE306 4.7 13.0 0.4
C B:SER308 4.8 9.3 1.0
OE2 B:GLU256 4.8 11.6 1.0
N B:PRO307 4.9 19.1 0.3
CA B:PHE306 4.9 12.9 0.4
CB B:SER297 5.0 18.9 0.6
N B:GLY233 5.0 11.9 1.0
CB B:PHE306 5.0 11.7 0.4

Caesium binding site 2 out of 3 in 6wx3

Go back to Caesium Binding Sites List in 6wx3
Caesium binding site 2 out of 3 in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs1402

b:16.5
occ:0.30
CS B:CS1402 0.0 16.5 0.3
CS B:CS1402 1.9 25.2 0.7
O B:GLY232 3.0 18.1 1.0
OE2 B:GLU256 3.3 11.6 1.0
O B:VAL231 3.3 10.7 1.0
O B:SER308 3.3 10.9 1.0
O B:GLY268 3.4 10.8 1.0
CD B:PRO270 3.6 10.8 1.0
CG B:PRO270 3.9 11.8 1.0
C B:GLY232 4.0 11.9 1.0
O B:PHE306 4.1 23.0 0.6
C B:VAL231 4.1 9.0 1.0
CG1 B:VAL231 4.2 10.2 1.0
CD B:GLU256 4.2 11.5 1.0
CG B:GLU256 4.2 11.4 1.0
CB B:VAL309 4.3 9.8 1.0
CA B:GLY232 4.3 11.4 1.0
CG2 B:VAL309 4.4 10.6 1.0
C B:SER308 4.4 9.3 1.0
O B:PHE306 4.4 13.0 0.4
C B:GLY268 4.5 9.4 1.0
N B:GLY232 4.6 9.0 1.0
CB B:GLU256 4.6 9.2 1.0
CD B:PRO257 4.6 8.9 1.0
N B:PRO270 4.7 9.8 1.0
CA B:VAL309 4.8 8.6 1.0
CB B:VAL231 4.8 9.1 1.0
CA B:ALA269 5.0 9.4 1.0

Caesium binding site 3 out of 3 in 6wx3

Go back to Caesium Binding Sites List in 6wx3
Caesium binding site 3 out of 3 in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs1410

b:15.6
occ:0.60
O B:HOH1849 2.9 26.4 0.5
O B:HOH1873 3.0 32.4 0.4
O B:THR71 3.0 9.6 1.0
O B:THR69 3.2 12.3 1.0
O B:HOH1621 3.2 26.7 1.0
O B:THR66 3.2 12.4 1.0
OG1 B:THR66 3.3 12.5 1.0
O B:HOH1672 3.5 39.4 1.0
CB B:THR66 3.7 11.7 1.0
C B:THR66 3.8 11.8 1.0
O B:HOH1873 3.9 22.3 0.6
C B:THR71 4.1 8.6 1.0
C B:THR69 4.1 10.3 1.0
OG1 B:THR69 4.2 10.7 1.0
CA B:THR66 4.5 11.4 1.0
N B:ALA67 4.5 13.1 1.0
N B:THR71 4.6 9.4 1.0
N B:THR69 4.6 12.8 1.0
CA B:ALA67 4.7 14.6 1.0
O B:HOH1502 4.8 11.4 1.0
CA B:THR69 4.9 11.1 1.0
N B:GLY68 4.9 16.3 1.0
C B:ARG70 4.9 10.0 0.5
C B:ARG70 4.9 9.8 0.6
N B:ARG70 5.0 10.1 0.6
N B:ARG70 5.0 10.4 0.5
N B:THR72 5.0 9.0 1.0
CA B:ARG70 5.0 10.1 0.6
CG2 B:THR66 5.0 11.8 1.0
CA B:THR71 5.0 9.3 1.0

Reference:

E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller. High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. To Be Published.
Page generated: Sat Apr 3 14:49:24 2021

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