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Caesium in PDB 6c73: Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site

Enzymatic activity of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site

All present enzymatic activity of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site, PDB code: 6c73 was solved by E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.82 / 1.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.609, 58.980, 67.150, 90.00, 94.40, 90.00
R / Rfree (%) 13.8 / 18.3

Other elements in 6c73:

The structure of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 1 atom

Caesium Binding Sites:

The binding sites of Caesium atom in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site (pdb code 6c73). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site, PDB code: 6c73:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 6c73

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Caesium binding site 1 out of 5 in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs313

b:40.6
occ:0.47
 O A:HOH671 3.0 42.5 1.0
O A:ALA167 3.1 19.6 1.0
O A:GLY170 3.2 19.7 1.0
O A:HIS204 3.6 18.7 1.0
O A:HOH492 3.7 27.9 1.0
N A:ALA206 4.1 16.0 1.0
NH2 A:ARG171 4.2 25.4 1.0
O A:HOH539 4.3 39.4 1.0
C A:GLY170 4.3 18.4 1.0
C A:ALA167 4.3 18.5 1.0
O A:SER168 4.3 21.4 0.8
CD A:ARG171 4.4 20.9 1.0
C A:ALA205 4.4 15.9 1.0
CA A:ALA205 4.5 15.1 1.0
O A:SER168 4.5 20.6 0.2
C A:HIS204 4.6 19.0 1.0
C A:SER168 4.8 20.1 0.8
CZ A:ARG171 4.8 25.7 1.0
C A:SER168 4.9 19.6 0.2
CA A:ALA206 4.9 14.3 1.0
NE A:ARG171 4.9 24.6 1.0
CB A:ALA206 5.0 15.4 1.0
CA A:ARG171 5.0 14.5 1.0

Caesium binding site 2 out of 5 in 6c73

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Caesium binding site 2 out of 5 in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs417

b:24.6
occ:0.50
 CS B:CS417 0.0 24.6 0.5
CS B:CS417 1.9 18.5 0.4
O B:GLY268 3.0 10.6 1.0
O B:PHE306 3.1 21.3 1.0
O B:GLY232 3.1 20.7 1.0
O B:SER308 3.7 12.8 1.0
O B:LEU304 3.8 22.6 1.0
O B:VAL231 3.8 10.2 1.0
OG B:SER297 3.9 26.4 1.0
C B:GLY232 3.9 13.7 1.0
C B:GLY268 4.0 10.6 1.0
CD B:PRO270 4.0 10.3 1.0
CA B:GLY232 4.1 11.9 1.0
C B:PHE306 4.3 18.3 1.0
CD B:PRO257 4.4 9.5 1.0
CA B:GLY268 4.5 10.4 1.0
CG B:PRO270 4.5 11.1 1.0
CG B:PRO257 4.5 9.7 1.0
CB B:SER297 4.6 24.4 1.0
C B:VAL231 4.7 9.9 1.0
C B:LEU304 4.7 20.6 1.0
N B:PHE306 4.8 20.2 1.0
N B:GLY232 4.9 10.7 1.0
C B:SER308 4.9 12.2 1.0
OE1 B:GLU256 4.9 12.8 1.0
CA B:PHE306 4.9 19.6 1.0
CB B:PHE306 4.9 20.2 1.0

Caesium binding site 3 out of 5 in 6c73

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Caesium binding site 3 out of 5 in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs417

b:18.5
occ:0.38
 CS B:CS417 0.0 18.5 0.4
CS B:CS417 1.9 24.6 0.5
O B:GLY232 2.9 20.7 1.0
O B:VAL231 3.3 10.2 1.0
OE1 B:GLU256 3.3 12.8 1.0
O B:GLY268 3.4 10.6 1.0
O B:SER308 3.4 12.8 1.0
CD B:PRO270 3.7 10.3 1.0
C B:GLY232 4.0 13.7 1.0
CG B:PRO270 4.0 11.1 1.0
C B:VAL231 4.1 9.9 1.0
CG1 B:VAL231 4.2 10.9 1.0
CD B:GLU256 4.2 12.4 1.0
CG B:GLU256 4.3 11.1 1.0
CB B:VAL309 4.3 11.3 1.0
CA B:GLY232 4.3 11.9 1.0
C B:SER308 4.5 12.2 1.0
C B:GLY268 4.5 10.6 1.0
O B:PHE306 4.5 21.3 1.0
CG2 B:VAL309 4.5 11.1 1.0
N B:GLY232 4.6 10.7 1.0
CD B:PRO257 4.6 9.5 1.0
CB B:GLU256 4.7 9.4 1.0
N B:PRO270 4.7 10.9 1.0
CA B:VAL309 4.8 11.2 1.0
CB B:VAL231 4.8 9.3 1.0
CA B:ALA269 4.9 9.9 1.0

Caesium binding site 4 out of 5 in 6c73

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Caesium binding site 4 out of 5 in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs418

b:14.7
occ:0.70
 O B:HOH759 2.9 45.1 1.0
O B:THR71 3.0 11.2 1.0
O B:HOH619 3.1 25.1 1.0
O B:THR69 3.2 13.9 1.0
O B:THR66 3.2 12.8 1.0
OG1 B:THR66 3.3 13.5 1.0
O B:HOH694 3.4 29.6 1.0
O B:HOH884 3.8 27.7 1.0
CB B:THR66 3.8 12.7 1.0
C B:THR66 3.9 13.3 1.0
C B:THR71 4.1 10.9 1.0
C B:THR69 4.1 14.1 1.0
OG1 B:THR69 4.3 11.2 1.0
N B:ALA67 4.5 13.7 1.0
N B:THR71 4.5 11.1 1.0
CA B:THR66 4.6 12.4 1.0
N B:THR69 4.6 13.2 1.0
CA B:ALA67 4.6 15.8 1.0
O B:HOH510 4.6 11.4 1.0
N B:GLY68 4.8 17.5 1.0
CA B:THR69 4.9 13.2 1.0
C B:ARG70 4.9 12.1 0.7
N B:THR72 4.9 10.5 1.0
CA B:ARG70 5.0 14.8 0.3
N B:ARG70 5.0 13.4 0.7
N B:ARG70 5.0 14.3 0.3
CA B:THR71 5.0 10.9 1.0
C B:ARG70 5.0 13.0 0.3

Caesium binding site 5 out of 5 in 6c73

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Caesium binding site 5 out of 5 in the Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs419

b:81.1
occ:0.50
 OE2 B:GLU11 3.9 24.6 0.5
OE1 B:GLU11 4.2 28.3 0.5
O B:HOH561 4.2 20.1 1.0
CD B:GLU11 4.3 23.8 0.5
O B:HOH616 4.4 30.2 1.0
O B:HOH539 4.4 33.8 1.0
CG B:TYR8 4.4 11.6 1.0
CD1 B:TYR8 4.4 12.8 1.0
O B:GLY10 4.5 13.3 1.0
CD2 B:TYR8 4.6 11.7 1.0
O B:HOH614 4.6 39.5 1.0
CE1 B:TYR8 4.6 13.0 1.0
CE2 B:TYR8 4.7 12.0 1.0
CZ B:TYR8 4.7 13.3 1.0
O A:HOH403 4.9 35.7 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Tryptophan Synthase Q114A Mutant (Internal Aldimine State) in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) with Cesium Ion Bound in the Metal Coordination Site. To Be Published.
Page generated: Tue Jul 30 20:48:22 2024

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