Chlorine 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
Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7kqf

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Chlorine binding site 1 out of 6 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 Chlorine with other atoms in the Cl 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:Cl309

b:32.6
occ:1.00
 O A:HOH450 2.9 67.7 1.0
C1 A:PEG305 3.2 41.4 1.0
C3 A:PEG305 3.4 41.2 1.0
O2 A:PEG305 3.6 42.7 1.0
C4 A:PEG305 3.6 43.7 1.0
O1 A:PEG305 3.6 44.6 1.0
O4 A:PEG305 3.8 48.3 1.0
C2 A:PEG305 3.9 41.6 1.0
CD1 A:PHE258 4.5 17.4 1.0
CE1 A:PHE258 4.9 17.8 1.0
O A:HOH434 4.9 39.4 1.0

Chlorine binding site 2 out of 6 in 7kqf

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Chlorine binding site 2 out of 6 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 Chlorine with other atoms in the Cl 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:Cl310

b:70.9
occ:1.00
 C2 A:PEG303 3.2 57.9 1.0
O1 A:PEG303 3.7 60.6 1.0
O2 A:PEG303 3.9 56.5 1.0
C4 A:PEG303 3.9 51.0 1.0
C1 A:PEG303 4.1 59.2 1.0
O4 A:PEG303 4.2 49.3 1.0
C3 A:PEG303 4.4 49.2 1.0

Chlorine binding site 3 out of 6 in 7kqf

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Chlorine binding site 3 out of 6 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 Chlorine with other atoms in the Cl 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
B:Cl410

b:48.8
occ:1.00
 O A:HOH672 3.2 51.6 1.0
O A:HOH687 3.9 53.3 0.5
O B:HOH957 3.9 67.2 1.0
O B:HOH971 4.2 42.7 1.0
O A:HOH687 4.3 42.2 0.5
O B:HOH529 4.4 33.4 1.0
O B:HOH792 4.8 45.8 1.0
O B:HOH719 4.9 22.2 1.0

Chlorine binding site 4 out of 6 in 7kqf

Go back to Chlorine Binding Sites List in 7kqf
Chlorine binding site 4 out of 6 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 Chlorine with other atoms in the Cl binding site number 4 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
B:Cl411

b:71.1
occ:1.00
 O B:HOH982 3.4 52.5 1.0
O B:GLY274 4.0 20.6 1.0
O B:LYS272 4.1 13.7 1.0
CA B:HIS273 4.3 12.6 1.0
C B:HIS273 4.4 14.4 1.0
O B:HIS273 4.5 20.3 1.0
O B:HOH731 4.5 29.3 0.5
C B:LYS272 4.9 11.4 1.0
N B:GLY274 5.0 14.5 1.0

Chlorine binding site 5 out of 6 in 7kqf

Go back to Chlorine Binding Sites List in 7kqf
Chlorine binding site 5 out of 6 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 Chlorine with other atoms in the Cl binding site number 5 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
B:Cl412

b:25.8
occ:1.00
 O B:HOH933 3.1 25.7 1.0
O B:HOH861 3.7 13.6 1.0
O B:HOH925 3.8 24.9 1.0
O B:HOH714 3.9 17.5 1.0
O B:HOH975 4.2 27.2 0.6
O B:HOH724 4.3 17.4 1.0
O B:HOH975 4.5 20.3 0.4
O B:HOH772 4.6 55.6 1.0

Chlorine binding site 6 out of 6 in 7kqf

Go back to Chlorine Binding Sites List in 7kqf
Chlorine binding site 6 out of 6 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 Chlorine with other atoms in the Cl binding site number 6 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
B:Cl413

b:37.7
occ:1.00
 O B:ALA67 3.1 17.5 1.0
O B:HOH871 3.1 62.0 1.0
C1 B:PEG405 3.4 35.3 1.0
O2 B:PEG405 3.4 42.9 1.0
C3 B:PEG405 3.5 31.3 1.0
O4 B:PEG405 3.7 45.5 1.0
C2 B:PEG405 4.0 32.9 1.0
C4 B:PEG405 4.1 36.6 1.0
C B:ALA67 4.2 15.4 1.0
O B:HOH633 4.2 40.5 1.0
CA B:GLY68 4.3 17.8 1.0
O1 B:PEG405 4.7 35.5 1.0
N B:GLY68 4.7 16.6 1.0
C B:GLY68 4.8 16.7 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: Mon Jul 29 23:41:59 2024

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