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Chlorine in PDB 7lvx: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution, PDB code: 7lvx 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) 29.54 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.103, 59.088, 67.16, 90, 94.47, 90
R / Rfree (%) 14.3 / 18.9

Other elements in 7lvx:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution also contains other interesting chemical elements:

Caesium (Cs) 9 atoms
Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution (pdb code 7lvx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution, PDB code: 7lvx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7lvx

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Chlorine binding site 1 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 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 Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:36.4
occ:1.00
 OG1 A:THR94 3.2 16.1 1.0
N A:ILE95 3.2 12.0 1.0
N A:THR94 3.4 13.9 1.0
CB A:ILE95 3.8 11.3 1.0
N A:PRO93 3.9 15.3 1.0
CB A:HIS92 3.9 13.0 1.0
C A:THR94 4.0 12.7 1.0
C A:HIS92 4.0 14.2 1.0
CA A:THR94 4.0 14.5 1.0
CA A:ILE95 4.0 12.2 1.0
CG2 A:ILE95 4.0 13.4 1.0
CD A:PRO93 4.0 16.4 1.0
CA A:HIS92 4.1 12.9 1.0
CB A:THR94 4.2 15.8 1.0
O A:HOH561 4.2 36.8 1.0
O A:HOH468 4.3 23.2 1.0
O A:HOH563 4.4 27.2 1.0
C A:PRO93 4.5 14.9 1.0
O A:HIS92 4.5 14.5 1.0
CG A:PRO93 4.6 18.8 1.0
CA A:PRO93 4.7 16.9 1.0
ND1 A:HIS92 4.8 14.5 1.0
CG A:HIS92 4.8 13.3 1.0
O A:HOH648 4.9 37.3 1.0

Chlorine binding site 2 out of 8 in 7lvx

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Chlorine binding site 2 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 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 Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:37.4
occ:1.00
 O1 A:EDO304 2.5 27.8 1.0
OE1 A:GLU5 2.6 26.8 1.0
N A:TYR4 2.9 12.1 1.0
O A:HOH544 3.0 47.9 1.0
N A:ARG3 3.1 13.4 1.0
O A:HOH412 3.2 15.1 1.0
C1 A:EDO304 3.5 29.2 1.0
C A:GLU2 3.5 16.2 1.0
CB A:TYR4 3.6 12.0 1.0
CD A:GLU5 3.6 29.6 1.0
CD2 A:TYR4 3.6 11.9 1.0
CA A:GLU2 3.7 22.6 1.0
C2 A:EDO304 3.7 28.8 1.0
CA A:TYR4 3.8 10.9 1.0
C A:ARG3 3.9 12.1 1.0
CA A:ARG3 3.9 11.8 1.0
N A:GLU5 4.0 12.7 1.0
OE2 A:GLU5 4.0 35.8 1.0
CG A:TYR4 4.0 11.3 1.0
O A:GLU2 4.2 15.8 1.0
O2 A:EDO304 4.3 24.1 1.0
O A:MET1 4.3 31.3 1.0
C A:TYR4 4.4 11.8 1.0
N A:GLU2 4.5 22.8 1.0
CB A:ARG3 4.6 11.5 1.0
C A:MET1 4.7 26.9 1.0
CE2 A:TYR4 4.7 11.8 1.0
CG A:GLU5 4.8 21.3 1.0
CB A:ASP124 4.8 11.6 1.0
CB A:GLU2 4.9 30.1 1.0
CA A:GLY172 5.0 12.8 1.0
O A:ASP124 5.0 11.4 1.0

Chlorine binding site 3 out of 8 in 7lvx

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Chlorine binding site 3 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 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 Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:38.0
occ:1.00
 O A:HOH617 3.0 31.1 1.0
O A:HOH507 3.2 17.0 1.0
O A:HOH550 3.7 21.7 1.0
CD1 A:PHE114 3.8 11.0 1.0
O A:HOH467 3.9 20.1 1.0
O B:HOH556 4.1 18.0 1.0
O A:HOH499 4.2 20.9 1.0
O A:HOH599 4.2 34.7 1.0
CE2 A:PHE82 4.2 20.7 1.0
CE1 A:PHE114 4.3 11.1 1.0
O A:HOH643 4.3 20.2 1.0
CD2 A:PHE82 4.6 18.1 1.0
O A:LEU105 4.6 13.9 1.0
O A:HOH596 4.7 28.9 1.0
CG A:PHE114 4.9 10.3 1.0
CZ A:PHE82 4.9 17.2 1.0

Chlorine binding site 4 out of 8 in 7lvx

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Chlorine binding site 4 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 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 Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl408

b:64.8
occ:1.00
 CD2 B:TYR8 4.0 10.2 1.0
CE2 B:TYR8 4.0 10.7 1.0
CG B:TYR8 4.1 9.7 1.0
CZ B:TYR8 4.2 11.0 1.0
O B:HOH548 4.2 25.6 1.0
O B:HOH543 4.3 18.7 1.0
CD1 B:TYR8 4.3 10.9 1.0
CE1 B:TYR8 4.3 10.7 1.0
O B:HOH908 4.3 41.1 1.0
O B:HOH714 4.4 25.2 1.0
O A:HOH504 4.6 38.1 1.0
O B:HOH890 4.7 24.0 1.0
O B:HOH535 4.7 42.0 1.0
O B:GLY10 4.7 11.3 1.0
CB B:TYR8 4.8 9.6 1.0
OH B:TYR8 4.9 13.9 1.0

Chlorine binding site 5 out of 8 in 7lvx

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Chlorine binding site 5 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 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 Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl409

b:39.5
occ:1.00
 C B:LEU5 3.4 11.5 1.0
N B:ASN6 3.5 12.3 1.0
O B:LEU4 3.6 15.6 1.0
O B:LEU5 3.7 11.2 1.0
CA B:LEU5 3.8 11.6 1.0
C B:LEU4 3.8 12.3 1.0
O B:HOH526 3.8 39.7 1.0
N B:LEU5 3.9 11.5 1.0
O B:THR3 3.9 13.5 1.0
CA B:ASN6 4.0 11.4 1.0
OG1 B:THR3 4.3 14.4 1.0
C B:THR3 4.6 12.0 1.0
CB B:ASN6 4.7 13.1 1.0
CA B:LEU4 4.8 11.7 1.0
O B:HOH760 4.9 24.9 1.0

Chlorine binding site 6 out of 8 in 7lvx

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Chlorine binding site 6 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 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 Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl410

b:66.5
occ:1.00
 CD1 B:PHE385 4.0 42.0 1.0
CE1 B:PHE385 4.0 48.1 1.0
CD2 B:HIS388 4.3 29.4 1.0
CG B:HIS388 4.4 27.9 1.0
CB B:HIS388 4.5 25.3 1.0
CG B:PHE385 4.8 35.6 1.0
NE2 B:HIS388 4.9 36.8 1.0
ND1 B:HIS388 4.9 32.1 1.0
CZ B:PHE385 4.9 43.9 1.0
CD1 B:ILE384 5.0 27.1 1.0
O B:ILE384 5.0 22.8 1.0

Chlorine binding site 7 out of 8 in 7lvx

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Chlorine binding site 7 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:56.8
occ:1.00
 O B:HOH781 2.9 52.5 1.0
O B:ASP218 3.0 14.3 1.0
OD1 B:ASP218 3.3 19.6 1.0
O B:HOH671 3.8 36.1 1.0
C B:ASP218 4.0 12.4 1.0
CG B:ASP218 4.1 15.8 1.0
CA B:ASP218 4.4 13.0 1.0
O B:HOH707 4.5 55.2 1.0
O B:HOH812 4.8 48.6 1.0
OD2 B:ASP218 4.8 23.1 1.0
CB B:ASP218 4.9 14.3 1.0

Chlorine binding site 8 out of 8 in 7lvx

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Chlorine binding site 8 out of 8 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:19.9
occ:1.00
 O B:SER249 2.9 13.6 1.0
O B:ASP225 3.0 10.5 1.0
O B:HOH569 3.3 21.9 1.0
O B:HOH779 3.9 33.2 1.0
C B:ASP225 4.0 9.7 1.0
N B:GLY251 4.0 8.8 1.0
C B:SER249 4.1 12.0 1.0
CA B:ASP225 4.3 9.9 1.0
O B:HOH894 4.4 17.1 1.0
CB B:ASP225 4.4 9.7 1.0
CA B:GLY251 4.6 8.8 1.0
O B:HOH684 4.6 26.0 1.0
C B:VAL250 4.7 8.6 1.0
CA B:VAL250 4.8 9.2 1.0
O B:HOH899 4.8 18.3 1.0
OD1 B:ASP225 4.8 12.3 1.0
N B:VAL250 4.9 10.2 1.0
CA B:SER249 5.0 13.8 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution. To Be Published.
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