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Caesium in PDB 7k5a: The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.

Enzymatic activity of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.

All present enzymatic activity of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site., PDB code: 7k5a 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) 39.29 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.827, 59.527, 67.478, 90, 94.88, 90
R / Rfree (%) 16.8 / 22

Other elements in 7k5a:

The structure of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. (pdb code 7k5a). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site., PDB code: 7k5a:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 7k5a

Go back to Caesium Binding Sites List in 7k5a
Caesium binding site 1 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:23.0
occ:0.66
 CS B:CS409 0.0 23.0 0.7
CS B:CS409 0.8 25.3 0.3
O B:THR71 3.0 19.8 1.0
O B:THR66 3.1 21.1 1.0
O B:THR69 3.1 21.4 1.0
O B:HOH652 3.2 33.0 1.0
OG1 B:THR66 3.2 19.8 1.0
O B:HOH778 3.5 37.1 1.0
CB B:THR66 3.8 19.1 1.0
C B:THR66 3.8 20.5 1.0
O B:HOH836 4.0 33.8 1.0
C B:THR69 4.1 20.7 1.0
C B:THR71 4.1 17.9 1.0
OG1 B:THR69 4.2 18.9 1.0
O B:HOH683 4.4 47.0 1.0
CA B:THR66 4.4 20.2 1.0
N B:THR69 4.5 20.5 1.0
N B:ALA67 4.5 22.0 1.0
N B:THR71 4.5 17.7 1.0
CA B:ALA67 4.6 24.3 1.0
O B:HOH594 4.7 17.6 1.0
N B:GLY68 4.8 28.1 1.0
CA B:THR69 4.8 20.3 1.0
N B:ARG70 4.9 18.7 0.6
N B:ARG70 4.9 18.4 0.4
CA B:THR71 4.9 16.6 1.0
CA B:ARG70 5.0 18.8 0.6
N B:THR72 5.0 17.5 1.0
C B:ARG70 5.0 17.7 0.6
C B:ARG70 5.0 17.2 0.4
C B:ALA67 5.0 26.1 1.0

Caesium binding site 2 out of 4 in 7k5a

Go back to Caesium Binding Sites List in 7k5a
Caesium binding site 2 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:25.3
occ:0.34
 CS B:CS409 0.0 25.3 0.3
CS B:CS409 0.8 23.0 0.7
O B:THR71 3.1 19.8 1.0
O B:THR69 3.2 21.4 1.0
O B:HOH652 3.5 33.0 1.0
O B:HOH778 3.7 37.1 1.0
OG1 B:THR66 3.7 19.8 1.0
O B:HOH836 3.8 33.8 1.0
O B:THR66 3.9 21.1 1.0
C B:THR71 4.1 17.9 1.0
C B:THR69 4.3 20.7 1.0
O B:HOH683 4.3 47.0 1.0
CB B:THR66 4.4 19.1 1.0
N B:THR71 4.6 17.7 1.0
C B:THR66 4.6 20.5 1.0
OG1 B:THR72 4.6 20.4 1.0
OG1 B:THR69 4.7 18.9 1.0
N B:THR72 4.8 17.5 1.0
CA B:ARG70 4.8 18.8 0.6
C B:ARG70 4.8 17.7 0.6
O B:HOH594 4.8 17.6 1.0
C B:ARG70 4.8 17.2 0.4
CA B:ARG70 4.9 17.8 0.4
CA B:THR72 4.9 17.0 1.0
N B:THR69 5.0 20.5 1.0
CA B:THR71 5.0 16.6 1.0
N B:ARG70 5.0 18.7 0.6
N B:ARG70 5.0 18.4 0.4

Caesium binding site 3 out of 4 in 7k5a

Go back to Caesium Binding Sites List in 7k5a
Caesium binding site 3 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:28.2
occ:0.35
 CS B:CS410 0.0 28.2 0.3
CS B:CS410 2.0 28.1 0.7
OE1 B:GLU256 3.1 19.6 1.0
O B:GLY232 3.3 26.7 1.0
O B:VAL231 3.3 18.1 1.0
O B:SER308 3.5 18.4 1.0
O B:GLY268 3.5 16.3 1.0
CD B:PRO270 3.7 15.7 1.0
CG B:PRO270 3.9 16.0 1.0
CD B:GLU256 4.0 17.4 1.0
CG B:GLU256 4.0 17.0 1.0
CG1 B:VAL231 4.0 17.2 1.0
CB B:VAL309 4.1 16.0 1.0
C B:VAL231 4.1 17.5 1.0
C B:GLY232 4.1 22.5 1.0
CG2 B:VAL309 4.3 16.7 1.0
C B:SER308 4.5 17.8 1.0
CA B:GLY232 4.5 20.6 1.0
O B:PHE306 4.5 27.7 1.0
CB B:GLU256 4.5 15.5 1.0
C B:GLY268 4.6 16.2 1.0
CB B:VAL231 4.6 15.8 1.0
CD B:PRO257 4.7 16.3 1.0
N B:GLY232 4.7 18.3 1.0
CA B:VAL309 4.7 15.7 1.0
N B:PRO270 4.8 16.1 1.0
CA B:ALA269 5.0 16.4 1.0

Caesium binding site 4 out of 4 in 7k5a

Go back to Caesium Binding Sites List in 7k5a
Caesium binding site 4 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:28.1
occ:0.65
 CS B:CS410 0.0 28.1 0.7
CS B:CS410 2.0 28.2 0.3
O B:GLY232 2.8 26.7 1.0
O B:PHE306 3.0 27.7 1.0
O B:GLY268 3.0 16.3 1.0
O B:LEU304 3.4 20.7 1.0
O B:SER308 3.6 18.4 1.0
O B:VAL231 3.6 18.1 1.0
C B:GLY232 3.7 22.5 1.0
CA B:GLY232 3.9 20.6 1.0
C B:PHE306 4.0 29.1 1.0
C B:GLY268 4.0 16.2 1.0
CD B:PRO270 4.1 15.7 1.0
CD B:PRO257 4.2 16.3 1.0
N B:PHE306 4.3 25.5 1.0
CG B:PRO257 4.4 15.8 1.0
CG B:PRO270 4.5 16.0 1.0
CA B:PHE306 4.5 28.1 1.0
C B:VAL231 4.5 17.5 1.0
C B:LEU304 4.5 18.3 1.0
CB B:PHE306 4.5 27.8 1.0
CA B:GLY268 4.6 17.1 1.0
N B:GLY232 4.7 18.3 1.0
OE1 B:GLU256 4.8 19.6 1.0
C B:SER308 4.8 17.8 1.0
CD2 B:PHE306 4.9 32.4 1.0
N B:GLY233 5.0 19.5 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Tue Jul 30 21:11:40 2024

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