Fluorine in PDB 7lpf: 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 and Sodium Ion at the Metal Coordination Site at 1.10 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 and Sodium Ion at the Metal Coordination Site at 1.10 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 and Sodium Ion at the Metal Coordination Site at 1.10 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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution, PDB code: 7lpf 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) 28.52 / 1.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.233, 59.182, 67.325, 90, 94.7, 90
R / Rfree (%) 17.2 / 19.9

Other elements in 7lpf:

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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution also contains other interesting chemical elements:

Sodium (Na) 1 atom

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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution (pdb code 7lpf). 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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution, PDB code: 7lpf:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7lpf

Go back to Fluorine Binding Sites List in 7lpf
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 and Sodium Ion at the Metal Coordination Site at 1.10 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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:22.8
occ:1.00
 F9F A:F9F301 0.0 22.8 1.0
C8 A:F9F301 1.3 19.0 1.0
F10 A:F9F301 2.1 22.5 1.0
O7 A:F9F301 2.1 22.2 1.0
F11 A:F9F301 2.1 24.0 1.0
O A:HOH635 3.1 23.3 1.0
O A:HOH531 3.1 13.3 1.0
O A:ALA129 3.2 13.1 1.0
O B:HOH733 3.3 14.2 1.0
CB B:PRO18 3.4 12.7 1.0
C1 A:F9F301 3.5 20.1 1.0
CB A:ALA59 3.7 21.8 1.0
O A:HOH546 3.9 21.8 0.7
CG B:PRO18 4.0 13.6 1.0
CB A:ALA129 4.1 14.8 1.0
C A:ALA129 4.1 11.3 1.0
C6 A:F9F301 4.2 20.2 1.0
CA A:ALA129 4.2 11.8 1.0
CA B:PRO18 4.2 11.1 1.0
CG1 A:ILE153 4.5 27.7 1.0
C2 A:F9F301 4.5 20.7 1.0
CD1 A:ILE153 4.8 27.3 1.0
CZ A:PHE212 4.9 22.3 1.0
N B:GLN19 5.0 11.3 1.0
CA A:ALA59 5.0 19.6 1.0

Fluorine binding site 2 out of 3 in 7lpf

Go back to Fluorine Binding Sites List in 7lpf
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 and Sodium Ion at the Metal Coordination Site at 1.10 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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:22.5
occ:1.00
 F10 A:F9F301 0.0 22.5 1.0
C8 A:F9F301 1.3 19.0 1.0
F9F A:F9F301 2.1 22.8 1.0
F11 A:F9F301 2.1 24.0 1.0
O7 A:F9F301 2.2 22.2 1.0
C1 A:F9F301 2.8 20.1 1.0
C6 A:F9F301 2.9 20.2 1.0
CG1 A:ILE153 3.2 27.7 1.0
O A:HOH531 3.2 13.3 1.0
CD1 A:ILE153 3.4 27.3 1.0
CA A:ALA129 3.4 11.8 1.0
CD2 A:LEU127 3.5 14.4 1.0
O A:ALA129 3.6 13.1 1.0
CB A:ALA129 3.6 14.8 1.0
C A:ALA129 4.0 11.3 1.0
C2 A:F9F301 4.1 20.7 1.0
C5 A:F9F301 4.2 21.0 1.0
O A:HOH571 4.4 18.6 0.5
O B:HOH733 4.4 14.2 1.0
CB A:ILE153 4.5 22.6 1.0
O A:HOH571 4.5 10.4 0.6
CD1 A:LEU127 4.6 14.4 1.0
CG A:LEU127 4.6 13.1 1.0
N A:ALA129 4.6 10.3 1.0
O A:HOH635 4.7 23.3 1.0
CG2 A:ILE153 4.9 23.2 1.0
CB A:ALA59 4.9 21.8 1.0
CD2 A:LEU100 5.0 18.1 1.0

Fluorine binding site 3 out of 3 in 7lpf

Go back to Fluorine Binding Sites List in 7lpf
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 and Sodium Ion at the Metal Coordination Site at 1.10 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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:24.0
occ:1.00
 F11 A:F9F301 0.0 24.0 1.0
C8 A:F9F301 1.3 19.0 1.0
F10 A:F9F301 2.1 22.5 1.0
F9F A:F9F301 2.1 22.8 1.0
O7 A:F9F301 2.2 22.2 1.0
C1 A:F9F301 2.9 20.1 1.0
C6 A:F9F301 2.9 20.2 1.0
O A:HOH635 3.0 23.3 1.0
CD1 A:ILE153 3.1 27.3 1.0
CG1 A:ILE153 3.3 27.7 1.0
O B:HOH733 3.5 14.2 1.0
CZ A:PHE212 3.8 22.3 1.0
CG2 A:ILE153 3.9 23.2 1.0
CD2 A:LEU177 3.9 25.0 1.0
O A:HOH531 4.0 13.3 1.0
CE1 A:PHE212 4.1 23.5 1.0
CB A:ILE153 4.1 22.6 1.0
C2 A:F9F301 4.2 20.7 1.0
C5 A:F9F301 4.2 21.0 1.0
CG A:LEU177 4.5 26.7 1.0
CD1 A:LEU177 4.5 27.5 1.0
CE2 A:PHE212 4.7 21.3 1.0
O A:HOH546 4.7 21.8 0.7

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 and Sodium Ion at the Metal Coordination Site at 1.10 Angstrom Resolution To Be Published.
Page generated: Fri Aug 2 09:00:00 2024

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