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Fluorine in PDB 7lv5: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution, PDB code: 7lv5 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) 39.14 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.149, 59.18, 67.354, 90, 94.81, 90
R / Rfree (%) 12.9 / 17.9

Other elements in 7lv5:

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

Chlorine (Cl) 1 atom
Caesium (Cs) 5 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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution (pdb code 7lv5). 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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution, PDB code: 7lv5:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7lv5

Go back to Fluorine Binding Sites List in 7lv5
Fluorine binding site 1 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:17.7
occ:1.00
F9F A:F9F301 0.0 17.7 1.0
C8 A:F9F301 1.3 15.3 1.0
O7 A:F9F301 2.1 15.8 1.0
F11 A:F9F301 2.1 18.9 1.0
F10 A:F9F301 2.1 17.1 1.0
O A:HOH636 3.1 18.6 1.0
O A:HOH526 3.2 13.2 1.0
O B:HOH759 3.2 14.7 1.0
O A:ALA129 3.3 15.0 1.0
CB B:PRO18 3.4 13.8 1.0
C1 A:F9F301 3.5 15.4 1.0
CB A:ALA59 3.7 16.8 1.0
CG B:PRO18 4.0 14.6 1.0
O A:HOH525 4.1 23.8 1.0
CB A:ALA129 4.1 13.1 1.0
C6 A:F9F301 4.1 15.6 1.0
C A:ALA129 4.1 11.8 1.0
CA B:PRO18 4.2 12.0 1.0
CA A:ALA129 4.2 10.4 1.0
C2 A:F9F301 4.5 14.5 1.0
CZ A:PHE212 4.8 16.5 1.0
CG1 A:ILE153 4.9 20.4 1.0
N B:GLN19 4.9 10.4 1.0

Fluorine binding site 2 out of 3 in 7lv5

Go back to Fluorine Binding Sites List in 7lv5
Fluorine binding site 2 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-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
F10 A:F9F301 0.0 17.1 1.0
C8 A:F9F301 1.3 15.3 1.0
F11 A:F9F301 2.1 18.9 1.0
F9F A:F9F301 2.1 17.7 1.0
O7 A:F9F301 2.2 15.8 1.0
C1 A:F9F301 2.9 15.4 1.0
C6 A:F9F301 2.9 15.6 1.0
O A:HOH526 3.2 13.2 1.0
CA A:ALA129 3.4 10.4 1.0
CD2 A:LEU127 3.4 15.2 1.0
O A:ALA129 3.5 15.0 1.0
CB A:ALA129 3.5 13.1 1.0
CD1 A:ILE153 3.6 24.1 1.0
CG1 A:ILE153 3.7 20.4 1.0
C A:ALA129 3.9 11.8 1.0
C2 A:F9F301 4.1 14.5 1.0
C5 A:F9F301 4.2 15.4 1.0
O B:HOH759 4.4 14.7 1.0
N A:ALA129 4.5 10.4 1.0
O A:HOH548 4.6 25.2 1.0
CG A:LEU127 4.7 11.2 1.0
O A:HOH498 4.7 30.9 1.0
O A:HOH636 4.8 18.6 1.0
CD1 A:LEU127 4.8 14.9 1.0
CB A:ILE153 4.9 18.2 1.0
O A:VAL128 4.9 11.0 1.0

Fluorine binding site 3 out of 3 in 7lv5

Go back to Fluorine Binding Sites List in 7lv5
Fluorine binding site 3 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-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 Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:18.9
occ:1.00
F11 A:F9F301 0.0 18.9 1.0
C8 A:F9F301 1.3 15.3 1.0
F10 A:F9F301 2.1 17.1 1.0
F9F A:F9F301 2.1 17.7 1.0
O7 A:F9F301 2.2 15.8 1.0
C1 A:F9F301 2.9 15.4 1.0
C6 A:F9F301 2.9 15.6 1.0
O A:HOH636 3.2 18.6 1.0
O B:HOH759 3.4 14.7 1.0
CD1 A:ILE153 3.7 24.1 1.0
CZ A:PHE212 3.8 16.5 1.0
CG1 A:ILE153 3.9 20.4 1.0
O A:HOH526 3.9 13.2 1.0
CG2 A:ILE153 4.0 20.7 1.0
CD2 A:LEU177 4.1 18.7 1.0
CE1 A:PHE212 4.1 16.1 1.0
C2 A:F9F301 4.2 14.5 1.0
C5 A:F9F301 4.2 15.4 1.0
CB A:ILE153 4.6 18.2 1.0
CG A:LEU177 4.6 17.2 1.0
CD1 A:LEU177 4.7 18.2 1.0
CE2 A:PHE212 4.7 16.4 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 Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution To Be Published.
Page generated: Tue Jul 15 21:22:23 2025

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