Fluorine in PDB 7kqf: The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution, PDB code: 7kqf 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) 39.02 / 1.47
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.851, 58.561, 67.183, 90, 94.62, 90
R / Rfree (%) 12.3 / 15.9

Other elements in 7kqf:

The structure of The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution also contains other interesting chemical elements:

Caesium (Cs) 6 atoms
Chlorine (Cl) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution (pdb code 7kqf). 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 Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution, PDB code: 7kqf:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7kqf

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Fluorine binding site 1 out of 3 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 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 Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:16.5
occ:1.00
 F9F A:F9F301 0.0 16.5 1.0
C8 A:F9F301 1.3 15.0 1.0
O7 A:F9F301 2.1 16.3 1.0
F10 A:F9F301 2.1 15.8 1.0
F11 A:F9F301 2.1 16.5 1.0
O A:HOH521 3.1 13.3 1.0
O A:HOH636 3.2 16.8 1.0
O A:ALA129 3.3 14.1 1.0
O B:HOH761 3.3 12.0 1.0
CB B:PRO18 3.4 12.6 1.0
C1 A:F9F301 3.5 15.5 1.0
CB A:ALA59 3.7 17.1 1.0
CG B:PRO18 4.0 12.8 1.0
CB A:ALA129 4.0 12.7 1.0
O A:HOH549 4.1 24.2 1.0
C A:ALA129 4.1 12.0 1.0
C6 A:F9F301 4.1 15.7 1.0
CA B:PRO18 4.2 11.3 1.0
CA A:ALA129 4.2 11.3 1.0
C2 A:F9F301 4.5 16.1 1.0
CZ A:PHE212 4.8 13.2 1.0
CG1 A:ILE153 4.8 20.5 1.0
CD1 A:ILE153 4.9 24.4 1.0
N B:GLN19 4.9 10.6 1.0

Fluorine binding site 2 out of 3 in 7kqf

Go back to Fluorine Binding Sites List in 7kqf
Fluorine binding site 2 out of 3 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 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 Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:15.8
occ:1.00
 F10 A:F9F301 0.0 15.8 1.0
C8 A:F9F301 1.3 15.0 1.0
F9F A:F9F301 2.1 16.5 1.0
F11 A:F9F301 2.1 16.5 1.0
O7 A:F9F301 2.2 16.3 1.0
C1 A:F9F301 2.8 15.5 1.0
C6 A:F9F301 2.9 15.7 1.0
O A:HOH521 3.2 13.3 1.0
CA A:ALA129 3.4 11.3 1.0
CD2 A:LEU127 3.4 13.7 1.0
CD1 A:ILE153 3.5 24.4 1.0
CB A:ALA129 3.5 12.7 1.0
O A:ALA129 3.5 14.1 1.0
CG1 A:ILE153 3.7 20.5 1.0
C A:ALA129 3.9 12.0 1.0
C2 A:F9F301 4.1 16.1 1.0
C5 A:F9F301 4.2 16.5 1.0
O B:HOH761 4.5 12.0 1.0
N A:ALA129 4.5 10.7 1.0
O A:HOH541 4.6 27.8 1.0
CG A:LEU127 4.6 11.9 1.0
CD1 A:LEU127 4.7 13.7 1.0
O A:HOH553 4.8 26.1 0.5
O A:HOH636 4.8 16.8 1.0
O A:VAL128 5.0 10.9 1.0
CB A:ILE153 5.0 18.1 1.0

Fluorine binding site 3 out of 3 in 7kqf

Go back to Fluorine Binding Sites List in 7kqf
Fluorine binding site 3 out of 3 in the The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 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 Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:16.5
occ:1.00
 F11 A:F9F301 0.0 16.5 1.0
C8 A:F9F301 1.3 15.0 1.0
F10 A:F9F301 2.1 15.8 1.0
F9F A:F9F301 2.1 16.5 1.0
O7 A:F9F301 2.2 16.3 1.0
C1 A:F9F301 2.9 15.5 1.0
C6 A:F9F301 2.9 15.7 1.0
O A:HOH636 3.1 16.8 1.0
CD1 A:ILE153 3.4 24.4 1.0
O B:HOH761 3.5 12.0 1.0
CZ A:PHE212 3.8 13.2 1.0
CG1 A:ILE153 3.8 20.5 1.0
O A:HOH521 3.9 13.3 1.0
CD2 A:LEU177 4.0 18.2 1.0
CE1 A:PHE212 4.1 13.4 1.0
C2 A:F9F301 4.2 16.1 1.0
C5 A:F9F301 4.2 16.5 1.0
CG2 A:ILE153 4.3 21.8 1.0
CG A:LEU177 4.5 18.4 1.0
CD1 A:LEU177 4.6 17.4 1.0
CB A:ILE153 4.6 18.1 1.0
CE2 A:PHE212 4.7 13.4 1.0
O A:HOH549 5.0 24.2 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Tryptophan Synthase From Salmonella in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.47 Angstrom Resolution. To Be Published.
Page generated: Thu Nov 25 09:13:05 2021

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