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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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

Go back to Chlorine Binding Sites List in 7lvx
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.
Page generated: Tue Jul 30 00:13:34 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy