Fluorine in PDB 6vnt: Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution

Enzymatic activity of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution

All present enzymatic activity of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution, PDB code: 6vnt was solved by E.Hilario, L.Fan, 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) 36.31 / 1.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.022, 59.382, 67.322, 90, 94.92, 90
R / Rfree (%) 15.3 / 18.1

Other elements in 6vnt:

The structure of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution (pdb code 6vnt). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution, PDB code: 6vnt:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6vnt

Go back to Fluorine Binding Sites List in 6vnt
Fluorine binding site 1 out of 3 in the Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:18.9
occ:1.00
 F9F A:F9F302 0.0 18.9 1.0
C8 A:F9F302 1.3 17.2 1.0
F10 A:F9F302 2.1 18.9 1.0
F11 A:F9F302 2.1 18.2 1.0
O7 A:F9F302 2.2 16.9 1.0
C1 A:F9F302 2.9 16.2 1.0
C2 A:F9F302 3.0 17.2 1.0
O A:HOH530 3.3 16.0 1.0
CA A:ALA129 3.4 13.9 1.0
CD2 A:LEU127 3.5 16.2 1.0
O A:ALA129 3.5 15.5 1.0
CB A:ALA129 3.5 16.7 1.0
CD1 A:ILE153 3.6 21.1 1.0
CG1 A:ILE153 3.7 20.6 1.0
C A:ALA129 3.9 13.4 1.0
C6 A:F9F302 4.2 16.9 1.0
C3 A:F9F302 4.3 17.1 1.0
O B:HOH910 4.5 15.9 1.0
N A:ALA129 4.5 13.1 1.0
O A:HOH542 4.6 23.8 1.0
CG A:LEU127 4.7 15.5 1.0
CD1 A:LEU127 4.8 17.0 1.0
O A:HOH684 4.8 18.4 1.0
O A:HOH496 4.9 21.3 1.0
O A:VAL128 4.9 14.1 1.0
CB A:ILE153 4.9 18.4 1.0

Fluorine binding site 2 out of 3 in 6vnt

Go back to Fluorine Binding Sites List in 6vnt
Fluorine binding site 2 out of 3 in the Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:18.9
occ:1.00
 F10 A:F9F302 0.0 18.9 1.0
C8 A:F9F302 1.3 17.2 1.0
F11 A:F9F302 2.1 18.2 1.0
F9F A:F9F302 2.1 18.9 1.0
O7 A:F9F302 2.2 16.9 1.0
C1 A:F9F302 2.8 16.2 1.0
C2 A:F9F302 2.9 17.2 1.0
O A:HOH684 3.2 18.4 1.0
O B:HOH910 3.6 15.9 1.0
CZ A:PHE212 3.8 17.0 1.0
CD1 A:ILE153 3.9 21.1 1.0
CG1 A:ILE153 4.0 20.6 1.0
CD1 A:LEU177 4.0 23.6 1.0
CE1 A:PHE212 4.0 17.5 1.0
O A:HOH530 4.1 16.0 1.0
C6 A:F9F302 4.1 16.9 1.0
C3 A:F9F302 4.2 17.1 1.0
CG2 A:ILE153 4.2 21.3 1.0
CD2 A:LEU177 4.6 19.6 1.0
CE2 A:PHE212 4.7 16.7 1.0
CB A:ILE153 4.7 18.4 1.0
CG A:LEU177 5.0 24.2 1.0
O A:HOH584 5.0 20.0 1.0

Fluorine binding site 3 out of 3 in 6vnt

Go back to Fluorine Binding Sites List in 6vnt
Fluorine binding site 3 out of 3 in the Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:18.2
occ:1.00
 F11 A:F9F302 0.0 18.2 1.0
C8 A:F9F302 1.3 17.2 1.0
F10 A:F9F302 2.1 18.9 1.0
O7 A:F9F302 2.1 16.9 1.0
F9F A:F9F302 2.1 18.9 1.0
O A:HOH684 3.1 18.4 1.0
O A:HOH530 3.3 16.0 1.0
O A:ALA129 3.3 15.5 1.0
O B:HOH910 3.3 15.9 1.0
CB B:PRO18 3.4 15.5 1.0
C1 A:F9F302 3.5 16.2 1.0
CB A:ALA59 3.9 16.9 1.0
CG B:PRO18 4.0 17.3 1.0
O A:HOH584 4.0 20.0 1.0
CB A:ALA129 4.1 16.7 1.0
C A:ALA129 4.1 13.4 1.0
C2 A:F9F302 4.1 17.2 1.0
CA B:PRO18 4.2 15.5 1.0
CA A:ALA129 4.2 13.9 1.0
C6 A:F9F302 4.5 16.9 1.0
CZ A:PHE212 4.8 17.0 1.0
CG1 A:ILE153 4.8 20.6 1.0
N B:GLN19 5.0 15.0 1.0

Reference:

E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller. Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate at the Beta Site, and Sodium Ion at the Metal Coordination Site at 1.25 Angstrom Resolution. To Be Published.
Page generated: Wed Mar 3 13:22:56 2021

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