Caesium in PDB 7jqw: The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring

Enzymatic activity of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring

All present enzymatic activity of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jqw 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) 39.22 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.714, 58.653, 67.03, 90, 94.98, 90
R / Rfree (%) 19.4 / 23

Other elements in 7jqw:

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring also contains other interesting chemical elements:

Chlorine (Cl) 12 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring (pdb code 7jqw). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jqw:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 7jqw

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Caesium binding site 1 out of 3 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


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 Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs426

b:22.1
occ:0.55
 O B:THR71 3.0 15.0 1.0
O B:THR69 3.0 19.8 1.0
O B:HOH706 3.1 49.0 1.0
O B:HOH668 3.3 29.7 1.0
O B:THR66 3.4 15.0 1.0
OG1 B:THR66 3.4 15.6 1.0
O B:HOH647 3.5 25.5 1.0
CB B:THR66 3.8 13.2 1.0
C B:THR71 4.0 15.3 1.0
C B:THR69 4.0 15.1 1.0
C B:THR66 4.1 15.5 1.0
O B:HOH602 4.2 52.8 1.0
N B:THR71 4.3 14.3 1.0
OG1 B:THR69 4.3 14.2 1.0
C B:ARG70 4.6 13.1 1.0
CA B:THR66 4.6 14.2 1.0
CA B:ARG70 4.7 14.1 1.0
N B:ARG70 4.8 11.0 1.0
CA B:THR71 4.8 12.8 1.0
O B:HOH611 4.8 12.4 1.0
N B:THR69 4.8 19.3 1.0
N B:ALA67 4.8 19.7 1.0
OG1 B:THR72 4.8 16.3 1.0
N B:THR72 4.8 10.9 1.0
CA B:THR69 5.0 15.9 1.0
O B:HOH509 5.0 36.8 1.0

Caesium binding site 2 out of 3 in 7jqw

Go back to Caesium Binding Sites List in 7jqw
Caesium binding site 2 out of 3 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


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 Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs427

b:24.8
occ:0.66
 CS B:CS427 0.0 24.8 0.7
CS B:CS427 1.9 22.3 0.3
O B:GLY268 2.9 9.3 1.0
O B:PHE306 2.9 29.3 1.0
O B:GLY232 2.9 22.3 1.0
O B:SER308 3.6 14.0 1.0
O B:VAL231 3.7 11.8 1.0
O B:LEU304 3.7 17.3 1.0
C B:GLY232 3.8 12.9 1.0
CD B:PRO270 3.9 16.3 1.0
C B:GLY268 3.9 12.3 1.0
CA B:GLY232 3.9 10.2 1.0
C B:PHE306 4.0 39.2 1.0
OG B:SER297 4.1 48.1 1.0
CD B:PRO257 4.2 11.9 1.0
N B:PHE306 4.4 43.6 1.0
CG B:PRO257 4.4 9.4 1.0
CG B:PRO270 4.5 14.5 1.0
CA B:GLY268 4.5 11.8 1.0
CB B:PHE306 4.5 44.1 1.0
CA B:PHE306 4.6 42.9 1.0
C B:VAL231 4.6 11.0 1.0
C B:LEU304 4.6 18.1 1.0
C B:SER308 4.7 16.3 1.0
OE1 B:GLU256 4.8 14.2 1.0
N B:GLY232 4.8 10.9 1.0
N B:SER308 4.9 16.8 1.0
CB B:SER297 5.0 45.9 1.0

Caesium binding site 3 out of 3 in 7jqw

Go back to Caesium Binding Sites List in 7jqw
Caesium binding site 3 out of 3 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


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 Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs427

b:22.3
occ:0.34
 CS B:CS427 0.0 22.3 0.3
CS B:CS427 1.9 24.8 0.7
O B:VAL231 3.2 11.8 1.0
O B:GLY232 3.2 22.3 1.0
OE1 B:GLU256 3.3 14.2 1.0
O B:GLY268 3.3 9.3 1.0
O B:SER308 3.3 14.0 1.0
CD B:PRO270 3.5 16.3 1.0
CG B:PRO270 3.9 14.5 1.0
C B:GLY232 4.1 12.9 1.0
CG1 B:VAL231 4.1 13.2 1.0
C B:VAL231 4.1 11.0 1.0
CD B:GLU256 4.2 13.1 1.0
CB B:VAL309 4.2 9.9 1.0
CG B:GLU256 4.3 11.4 1.0
CA B:GLY232 4.3 10.2 1.0
O B:PHE306 4.4 29.3 1.0
CG2 B:VAL309 4.4 10.2 1.0
C B:SER308 4.4 16.3 1.0
C B:GLY268 4.5 12.3 1.0
CB B:GLU256 4.5 12.5 1.0
CD B:PRO257 4.6 11.9 1.0
N B:GLY232 4.7 10.9 1.0
N B:PRO270 4.7 14.1 1.0
CA B:VAL309 4.7 12.7 1.0
CB B:VAL231 4.8 7.9 1.0
CA B:ALA269 4.9 8.2 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring. To Be Published.
Page generated: Fri Sep 24 13:05:19 2021

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