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Fluorine in PDB 7lvx: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution, PDB code: 7lvx 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) 29.54 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.103, 59.088, 67.16, 90, 94.47, 90
R / Rfree (%) 14.3 / 18.9

Other elements in 7lvx:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms
Caesium (Cs) 9 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution (pdb code 7lvx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution, PDB code: 7lvx:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7lvx

Go back to Fluorine Binding Sites List in 7lvx
Fluorine binding site 1 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:16.4
occ:1.00
 F9F A:F9F301 0.0 16.4 1.0
C8 A:F9F301 1.3 15.3 1.0
O7 A:F9F301 2.1 16.7 1.0
F10 A:F9F301 2.1 15.9 1.0
F11 A:F9F301 2.1 17.1 1.0
O A:HOH644 3.2 16.0 1.0
O B:HOH734 3.2 14.8 1.0
O A:ALA129 3.3 12.2 1.0
O B:HOH747 3.3 12.7 1.0
CB B:PRO18 3.5 10.8 1.0
C1 A:F9F301 3.5 14.6 1.0
CB A:ALA59 3.6 15.4 1.0
O A:HOH556 4.0 20.8 1.0
CG B:PRO18 4.0 11.0 1.0
CB A:ALA129 4.1 11.9 1.0
C A:ALA129 4.1 11.2 1.0
C6 A:F9F301 4.1 16.1 1.0
CA A:ALA129 4.2 10.5 1.0
CA B:PRO18 4.2 10.2 1.0
C2 A:F9F301 4.5 15.6 1.0
CG1 A:ILE153 4.7 20.2 1.0
CZ A:PHE212 4.8 15.4 1.0
CD1 A:ILE153 4.9 22.0 1.0
N B:GLN19 5.0 9.7 1.0

Fluorine binding site 2 out of 3 in 7lvx

Go back to Fluorine Binding Sites List in 7lvx
Fluorine binding site 2 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:15.9
occ:1.00
 F10 A:F9F301 0.0 15.9 1.0
C8 A:F9F301 1.3 15.3 1.0
F9F A:F9F301 2.1 16.4 1.0
F11 A:F9F301 2.2 17.1 1.0
O7 A:F9F301 2.2 16.7 1.0
C1 A:F9F301 2.9 14.6 1.0
C6 A:F9F301 3.0 16.1 1.0
O B:HOH734 3.2 14.8 1.0
CA A:ALA129 3.4 10.5 1.0
CD2 A:LEU127 3.4 13.8 1.0
CD1 A:ILE153 3.4 22.0 1.0
CG1 A:ILE153 3.5 20.2 1.0
CB A:ALA129 3.6 11.9 1.0
O A:ALA129 3.6 12.2 1.0
C A:ALA129 4.0 11.2 1.0
C2 A:F9F301 4.1 15.6 1.0
C5 A:F9F301 4.2 16.8 1.0
O A:HOH457 4.4 23.1 1.0
O B:HOH747 4.4 12.7 1.0
N A:ALA129 4.6 11.0 1.0
CG A:LEU127 4.6 11.8 1.0
CD1 A:LEU127 4.7 12.5 1.0
O A:HOH644 4.8 16.0 1.0
CB A:ILE153 4.8 16.8 1.0
O A:VAL128 4.9 11.5 1.0
CB A:ALA59 5.0 15.4 1.0

Fluorine binding site 3 out of 3 in 7lvx

Go back to Fluorine Binding Sites List in 7lvx
Fluorine binding site 3 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:17.1
occ:1.00
 F11 A:F9F301 0.0 17.1 1.0
C8 A:F9F301 1.3 15.3 1.0
F9F A:F9F301 2.1 16.4 1.0
F10 A:F9F301 2.2 15.9 1.0
O7 A:F9F301 2.2 16.7 1.0
C1 A:F9F301 2.9 14.6 1.0
C6 A:F9F301 2.9 16.1 1.0
O A:HOH644 3.1 16.0 1.0
CD1 A:ILE153 3.3 22.0 1.0
O B:HOH747 3.5 12.7 1.0
CG1 A:ILE153 3.7 20.2 1.0
CZ A:PHE212 3.7 15.4 1.0
O B:HOH734 4.0 14.8 1.0
CD1 A:LEU177 4.0 29.3 1.0
CE1 A:PHE212 4.1 15.7 1.0
CG2 A:ILE153 4.2 18.3 1.0
C2 A:F9F301 4.2 15.6 1.0
C5 A:F9F301 4.2 16.8 1.0
CB A:ILE153 4.6 16.8 1.0
CE2 A:PHE212 4.6 15.1 1.0
CD2 A:LEU177 4.7 20.3 1.0
O A:HOH556 4.9 20.8 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution. To Be Published.
Page generated: Fri Aug 2 09:07:00 2024

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