Fluorine in PDB 7l1h: 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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site

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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site

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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site:
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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site, PDB code: 7l1h 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) 39.40 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.97, 59.73, 67.42, 90, 94.7, 90
R / Rfree (%) 13.8 / 18.5

Other elements in 7l1h:

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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site also contains other interesting chemical elements:

Caesium (Cs) 4 atoms
Chlorine (Cl) 7 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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site (pdb code 7l1h). 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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site, PDB code: 7l1h:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7l1h

Go back to Fluorine Binding Sites List in 7l1h
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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site


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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:20.2
occ:1.00
 F9F A:F9F303 0.0 20.2 1.0
C8 A:F9F303 1.3 16.9 1.0
F10 A:F9F303 2.1 20.1 1.0
F11 A:F9F303 2.1 18.7 1.0
O7 A:F9F303 2.2 17.9 1.0
C1 A:F9F303 2.9 17.6 1.0
C2 A:F9F303 2.9 21.3 1.0
O A:HOH536 3.3 18.2 1.0
CA A:ALA129 3.4 14.6 1.0
CD2 A:LEU127 3.5 17.1 1.0
O A:ALA129 3.5 16.5 1.0
CB A:ALA129 3.6 17.2 1.0
CD1 A:ILE153 3.6 21.6 1.0
CG1 A:ILE153 3.7 20.8 1.0
C A:ALA129 3.9 14.5 1.0
C6 A:F9F303 4.1 17.7 1.0
C3 A:F9F303 4.2 18.7 1.0
O B:HOH797 4.5 15.1 0.9
N A:ALA129 4.5 15.1 1.0
O A:HOH520 4.6 15.4 0.6
CG A:LEU127 4.7 17.2 1.0
CD1 A:LEU127 4.8 17.7 1.0
O A:HOH545 4.9 20.0 0.9
O A:HOH680 4.9 19.3 1.0
O A:VAL128 4.9 15.1 1.0

Fluorine binding site 2 out of 3 in 7l1h

Go back to Fluorine Binding Sites List in 7l1h
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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site


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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:20.1
occ:1.00
 F10 A:F9F303 0.0 20.1 1.0
C8 A:F9F303 1.3 16.9 1.0
F9F A:F9F303 2.1 20.2 1.0
F11 A:F9F303 2.1 18.7 1.0
O7 A:F9F303 2.2 17.9 1.0
C1 A:F9F303 2.8 17.6 1.0
C2 A:F9F303 2.9 21.3 1.0
O A:HOH680 3.3 19.3 1.0
O B:HOH797 3.6 15.1 0.9
CZ A:PHE212 3.7 17.0 1.0
CD1 A:ILE153 3.8 21.6 1.0
CE1 A:PHE212 4.0 17.3 1.0
CG1 A:ILE153 4.0 20.8 1.0
O A:HOH536 4.1 18.2 1.0
CD1 A:LEU177 4.1 21.8 1.0
C6 A:F9F303 4.1 17.7 1.0
C3 A:F9F303 4.2 18.7 1.0
CG2 A:ILE153 4.3 23.1 1.0
CD2 A:LEU177 4.6 18.2 1.0
CE2 A:PHE212 4.6 17.1 1.0
CB A:ILE153 4.8 17.9 1.0
CG A:LEU177 5.0 22.7 1.0
O A:HOH560 5.0 20.1 1.0

Fluorine binding site 3 out of 3 in 7l1h

Go back to Fluorine Binding Sites List in 7l1h
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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site


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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:18.7
occ:1.00
 F11 A:F9F303 0.0 18.7 1.0
C8 A:F9F303 1.3 16.9 1.0
F10 A:F9F303 2.1 20.1 1.0
O7 A:F9F303 2.1 17.9 1.0
F9F A:F9F303 2.1 20.2 1.0
O A:HOH536 3.2 18.2 1.0
O A:HOH680 3.2 19.3 1.0
O A:ALA129 3.3 16.5 1.0
O B:HOH797 3.4 15.1 0.9
C1 A:F9F303 3.5 17.6 1.0
CB B:PRO18 3.5 19.2 1.0
CB A:ALA59 3.9 18.4 1.0
CG B:PRO18 4.0 19.3 1.0
O A:HOH560 4.1 20.1 1.0
CB A:ALA129 4.1 17.2 1.0
C A:ALA129 4.1 14.5 1.0
C2 A:F9F303 4.1 21.3 1.0
CA B:PRO18 4.1 18.5 1.0
CA A:ALA129 4.2 14.6 1.0
C6 A:F9F303 4.5 17.7 1.0
CZ A:PHE212 4.7 17.0 1.0
CG1 A:ILE153 4.9 20.8 1.0
N B:GLN19 4.9 16.0 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 1.50 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site To Be Published.
Page generated: Thu Mar 31 02:59:42 2022

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy