Fluorine in PDB 7kwv: The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

Enzymatic activity of The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution

All present enzymatic activity of The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution, PDB code: 7kwv 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) 28.76 / 1.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.189, 59.73, 67.54, 90, 94.63, 90
R / Rfree (%) 15.8 / 19.9

Other elements in 7kwv:

The structure of The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Caesium (Cs) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution (pdb code 7kwv). 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 Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution, PDB code: 7kwv:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7kwv

Go back to Fluorine Binding Sites List in 7kwv
Fluorine binding site 1 out of 3 in the The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 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 Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:21.6
occ:1.00
 F9F A:F9F301 0.0 21.6 1.0
C8 A:F9F301 1.3 19.7 1.0
F10 A:F9F301 2.1 21.0 1.0
F11 A:F9F301 2.1 20.4 1.0
O7 A:F9F301 2.2 20.9 1.0
C1 A:F9F301 2.9 16.9 1.0
C2 A:F9F301 2.9 20.7 1.0
O A:HOH530 3.3 17.9 1.0
CA A:ALA129 3.4 14.9 1.0
CD1 A:ILE153 3.5 24.6 1.0
CD2 A:LEU127 3.5 18.1 1.0
CB A:ALA129 3.5 18.0 1.0
O A:ALA129 3.6 17.1 1.0
CG1 A:ILE153 3.7 21.4 1.0
C A:ALA129 4.0 15.5 1.0
C6 A:F9F301 4.2 18.6 1.0
C3 A:F9F301 4.2 19.3 1.0
O B:HOH887 4.5 15.8 1.0
N A:ALA129 4.6 14.0 1.0
O A:HOH516 4.6 30.6 1.0
CG A:LEU127 4.7 17.0 1.0
CD1 A:LEU127 4.7 18.1 1.0
O A:HOH662 4.9 20.3 1.0
O A:HOH476 4.9 27.0 1.0
CB A:ILE153 5.0 17.5 1.0

Fluorine binding site 2 out of 3 in 7kwv

Go back to Fluorine Binding Sites List in 7kwv
Fluorine binding site 2 out of 3 in the The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 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 Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:21.0
occ:1.00
 F10 A:F9F301 0.0 21.0 1.0
C8 A:F9F301 1.3 19.7 1.0
F9F A:F9F301 2.1 21.6 1.0
F11 A:F9F301 2.1 20.4 1.0
O7 A:F9F301 2.2 20.9 1.0
C1 A:F9F301 2.9 16.9 1.0
C2 A:F9F301 2.9 20.7 1.0
O A:HOH662 3.2 20.3 1.0
O B:HOH887 3.6 15.8 1.0
CD1 A:ILE153 3.7 24.6 1.0
CZ A:PHE212 3.7 18.1 1.0
CG1 A:ILE153 4.0 21.4 1.0
CE1 A:PHE212 4.0 16.9 1.0
CD1 A:LEU177 4.1 23.7 1.0
O A:HOH530 4.1 17.9 1.0
C6 A:F9F301 4.1 18.6 1.0
C3 A:F9F301 4.2 19.3 1.0
CG2 A:ILE153 4.4 20.1 1.0
CE2 A:PHE212 4.6 16.1 1.0
CD2 A:LEU177 4.7 18.2 1.0
CB A:ILE153 4.8 17.5 1.0
O A:HOH550 5.0 20.9 1.0

Fluorine binding site 3 out of 3 in 7kwv

Go back to Fluorine Binding Sites List in 7kwv
Fluorine binding site 3 out of 3 in the The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 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 Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:20.4
occ:1.00
 F11 A:F9F301 0.0 20.4 1.0
C8 A:F9F301 1.3 19.7 1.0
O7 A:F9F301 2.1 20.9 1.0
F10 A:F9F301 2.1 21.0 1.0
F9F A:F9F301 2.1 21.6 1.0
O A:HOH530 3.2 17.9 1.0
O A:HOH662 3.2 20.3 1.0
O A:ALA129 3.3 17.1 1.0
O B:HOH887 3.4 15.8 1.0
CB B:PRO18 3.5 16.9 1.0
C1 A:F9F301 3.5 16.9 1.0
CB A:ALA59 3.9 19.4 1.0
CG B:PRO18 4.0 17.4 1.0
CB A:ALA129 4.0 18.0 1.0
O A:HOH550 4.1 20.9 1.0
C A:ALA129 4.1 15.5 1.0
C2 A:F9F301 4.1 20.7 1.0
CA B:PRO18 4.2 15.7 1.0
CA A:ALA129 4.2 14.9 1.0
C6 A:F9F301 4.5 18.6 1.0
CZ A:PHE212 4.8 18.1 1.0
CG1 A:ILE153 4.8 21.4 1.0
N B:GLN19 4.9 13.9 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Aminoacrylate 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 Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution. To Be Published.
Page generated: Fri Aug 2 08:32:36 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy