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Caesium in PDB 5cgq: Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.

Enzymatic activity of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site., PDB code: 5cgq was solved by E.Hilario, B.G.Caulkins, R.P.Young, 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) 39.21 / 1.18
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.553, 59.300, 67.368, 90.00, 94.82, 90.00
R / Rfree (%) 14 / 16.1

Other elements in 5cgq:

The structure of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. (pdb code 5cgq). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site., PDB code: 5cgq:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 5cgq

Go back to Caesium Binding Sites List in 5cgq
Caesium binding site 1 out of 3 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs302

b:14.3
occ:0.45
O A:HOH616 2.8 31.5 1.0
O A:ARG267 2.8 27.5 1.0
O A:HOH668 2.8 31.1 1.0
OG A:SER221 2.8 26.6 0.4
OG A:SER221 2.8 19.9 0.6
O A:HOH417 2.8 29.3 1.0
O A:ALA265 2.9 19.1 1.0
CB A:SER221 3.6 22.9 0.4
O A:HOH603 3.6 32.1 1.0
O A:HOH458 3.9 32.7 1.0
C A:ALA265 4.0 17.4 1.0
C A:ARG267 4.0 27.3 1.0
CB A:SER221 4.0 16.6 0.6
CA A:SER221 4.5 19.6 0.4
N A:ARG267 4.5 20.7 1.0
CA A:SER221 4.5 15.4 0.6
C A:SER266 4.7 19.7 1.0
CA A:ALA265 4.7 16.6 1.0
CA A:ALA268 4.8 32.9 1.0
N A:ALA268 4.8 32.1 1.0
N A:SER266 4.9 16.4 1.0
CA A:ARG267 4.9 25.0 1.0
CA A:SER266 5.0 17.2 1.0

Caesium binding site 2 out of 3 in 5cgq

Go back to Caesium Binding Sites List in 5cgq
Caesium binding site 2 out of 3 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs404

b:13.1
occ:0.90
O B:HOH668 2.7 18.3 1.0
O B:GLY232 2.8 19.3 1.0
O B:PHE306 2.9 13.4 1.0
O B:GLY268 3.0 11.4 1.0
O B:LEU304 3.1 14.3 1.0
O B:SER308 3.1 12.1 1.0
C B:GLY232 3.8 11.7 1.0
O B:VAL231 3.9 11.2 1.0
CD B:PRO270 3.9 11.5 1.0
C B:PHE306 4.0 12.8 1.0
CA B:GLY232 4.0 11.2 1.0
C B:GLY268 4.1 10.9 1.0
N B:PHE306 4.3 13.2 1.0
CG B:PRO270 4.3 12.5 1.0
C B:LEU304 4.3 12.8 1.0
C B:SER308 4.4 11.3 1.0
CB B:PHE306 4.4 13.9 1.0
CA B:PHE306 4.5 13.3 1.0
CD B:PRO257 4.5 9.5 1.0
CA B:GLY268 4.6 11.4 1.0
CG B:PRO257 4.7 10.3 1.0
C B:VAL231 4.7 9.3 1.0
N B:SER308 4.8 12.1 1.0
N B:GLY232 4.8 9.5 1.0

Caesium binding site 3 out of 3 in 5cgq

Go back to Caesium Binding Sites List in 5cgq
Caesium binding site 3 out of 3 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs405

b:15.5
occ:0.57
O B:HOH842 2.8 36.3 1.0
O B:HOH719 2.8 26.4 1.0
O B:THR71 2.9 12.1 1.0
O B:THR66 3.0 15.0 1.0
O B:THR69 3.0 15.4 1.0
OG1 B:THR66 3.0 16.3 1.0
O B:HOH554 3.4 29.3 1.0
O B:HOH827 3.5 33.3 1.0
CB B:THR66 3.7 13.9 1.0
C B:THR66 3.7 14.4 1.0
O B:HOH864 3.9 25.2 1.0
C B:THR71 4.1 10.8 1.0
C B:THR69 4.1 12.9 1.0
OG1 B:THR69 4.2 12.6 1.0
CA B:THR66 4.5 13.3 1.0
N B:ALA67 4.5 14.2 1.0
N B:THR71 4.5 11.2 1.0
N B:THR69 4.6 14.7 1.0
CA B:ALA67 4.6 15.8 1.0
O B:HOH542 4.7 13.3 1.0
CA B:THR69 4.8 13.9 1.0
N B:GLY68 4.9 18.1 1.0
N B:ARG70 4.9 12.8 0.6
N B:ARG70 4.9 12.5 0.4
C B:ARG70 4.9 11.9 0.6
N B:THR72 4.9 10.6 1.0
CA B:THR71 4.9 10.8 1.0
C B:ARG70 5.0 11.5 0.4
CA B:ARG70 5.0 13.9 0.6
CA B:ARG70 5.0 12.3 0.4
CG2 B:THR66 5.0 13.9 1.0

Reference:

E.Hilario, B.G.Caulkins, R.P.Young, M.F.Dunn, L.J.Mueller, L.Fan. Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand and the Product L-Tryptophan in the Beta-Site. To Be Published.
Page generated: Sun Dec 13 10:56:41 2020

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