Chlorine 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:

Caesium (Cs) 3 atoms
Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7kwv

Go back to Chlorine Binding Sites List in 7kwv
Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl303

b:59.2
occ:0.67
CL A:CL303 0.0 59.2 0.7
CL A:CL303 1.7 42.4 0.3
N A:LYS249 3.4 32.9 1.0
CB A:LYS249 3.5 37.0 1.0
O A:HOH433 3.6 42.8 1.0
C A:SER247 3.8 26.3 1.0
N A:PRO248 3.8 30.6 1.0
CD A:PRO248 3.8 31.4 1.0
CA A:SER247 3.8 25.8 1.0
CG A:LYS249 3.9 47.7 1.0
CA A:LYS249 3.9 33.2 1.0
O A:HOH507 4.1 47.2 1.0
N A:GLN250 4.2 30.2 1.0
O A:SER247 4.4 26.0 1.0
CB A:SER247 4.4 28.5 1.0
CG A:PRO248 4.4 34.4 1.0
C A:PRO248 4.4 30.7 1.0
CA A:PRO248 4.6 30.8 1.0
C A:LYS249 4.6 30.7 1.0
CD A:LYS249 4.8 53.6 1.0

Chlorine binding site 2 out of 2 in 7kwv

Go back to Chlorine Binding Sites List in 7kwv
Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl 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:Cl303

b:42.4
occ:0.33
CL A:CL303 0.0 42.4 0.3
CL A:CL303 1.7 59.2 0.7
N A:GLN250 3.2 30.2 1.0
CB A:SER247 3.4 28.5 1.0
C A:SER247 3.4 26.3 1.0
CA A:SER247 3.4 25.8 1.0
O A:HOH507 3.5 47.2 1.0
N A:LYS249 3.6 32.9 1.0
O A:SER247 3.6 26.0 1.0
CB A:GLN250 3.6 33.6 1.0
CB A:LYS249 3.7 37.0 1.0
CA A:LYS249 3.9 33.2 1.0
N A:PRO248 4.0 30.6 1.0
C A:LYS249 4.0 30.7 1.0
CA A:GLN250 4.0 29.0 1.0
O A:HOH433 4.2 42.8 1.0
OG A:SER247 4.2 29.6 1.0
CD A:PRO248 4.5 31.4 1.0
C A:PRO248 4.5 30.7 1.0
CG A:LYS249 4.7 47.7 1.0
CA A:PRO248 4.8 30.8 1.0
NE2 A:GLN250 4.8 55.6 1.0
N A:SER247 4.8 23.3 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 Dec 17 08:51:21 2021

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