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Caesium in PDB 7ki7: The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

Enzymatic activity of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

All present enzymatic activity of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7ki7 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) 29.71 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.703, 59.419, 67.358, 90, 94.72, 90
R / Rfree (%) 18.9 / 23.6

Other elements in 7ki7:

The structure of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site also contains other interesting chemical elements:

Chlorine (Cl) 11 atoms
Fluorine (F) 3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site (pdb code 7ki7). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7ki7:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 7ki7

Go back to Caesium Binding Sites List in 7ki7
Caesium binding site 1 out of 3 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs401

b:28.2
occ:0.76
 O B:THR71 3.0 17.8 1.0
O B:THR69 3.0 23.4 1.0
O B:HOH799 3.1 63.6 1.0
O B:HOH601 3.2 34.6 1.0
O B:THR66 3.2 25.9 1.0
OG1 B:THR66 3.3 20.5 1.0
O B:HOH746 3.6 46.8 1.0
C B:THR66 3.9 22.7 1.0
CB B:THR66 3.9 16.6 1.0
O B:HOH780 4.0 35.3 1.0
C B:THR69 4.0 21.1 1.0
C B:THR71 4.1 19.4 1.0
OG1 B:THR69 4.3 20.1 1.0
N B:THR71 4.5 15.8 1.0
CA B:THR66 4.6 21.0 1.0
N B:ALA67 4.6 23.1 1.0
N B:THR69 4.6 21.9 1.0
CA B:ALA67 4.7 22.0 1.0
O B:HOH607 4.7 19.6 1.0
C B:ARG70 4.8 19.4 0.4
CA B:ARG70 4.8 17.9 0.6
N B:ARG70 4.8 18.9 0.4
N B:ARG70 4.8 18.9 0.6
CA B:ARG70 4.8 18.0 0.4
C B:ARG70 4.9 19.9 0.6
CA B:THR69 4.9 20.6 1.0
CA B:THR71 4.9 13.1 1.0
N B:THR72 5.0 17.5 1.0

Caesium binding site 2 out of 3 in 7ki7

Go back to Caesium Binding Sites List in 7ki7
Caesium binding site 2 out of 3 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs402

b:24.9
occ:0.38
 CS B:CS402 0.0 24.9 0.4
CS B:CS402 1.8 31.5 0.6
O B:GLY232 3.0 33.3 1.0
OE2 B:GLU256 3.2 20.7 1.0
O B:VAL231 3.2 21.3 1.0
O B:GLY268 3.3 18.4 1.0
O B:SER308 3.3 22.1 1.0
CD B:PRO270 3.6 20.7 1.0
CG B:GLU256 3.9 18.9 1.0
C B:GLY232 3.9 25.6 1.0
CD B:GLU256 4.0 20.8 1.0
CG1 B:VAL231 4.0 20.2 1.0
CG B:PRO270 4.0 15.5 1.0
C B:VAL231 4.1 19.2 1.0
CA B:GLY232 4.2 22.0 1.0
CB B:VAL309 4.2 20.1 1.0
CG2 B:VAL309 4.4 21.1 1.0
O B:PHE306 4.4 46.2 1.0
C B:SER308 4.4 21.5 1.0
C B:GLY268 4.5 16.3 1.0
CD B:PRO257 4.5 14.1 1.0
N B:GLY232 4.5 17.9 1.0
CB B:GLU256 4.7 20.1 1.0
CB B:VAL231 4.7 17.2 1.0
CA B:VAL309 4.8 14.3 1.0
N B:PRO270 4.8 17.0 1.0
CA B:ALA269 5.0 17.2 1.0

Caesium binding site 3 out of 3 in 7ki7

Go back to Caesium Binding Sites List in 7ki7
Caesium binding site 3 out of 3 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N- (4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs402

b:31.5
occ:0.62
 CS B:CS402 0.0 31.5 0.6
CS B:CS402 1.8 24.9 0.4
O B:PHE306 2.9 46.2 1.0
O B:GLY268 3.1 18.4 1.0
O B:GLY232 3.1 33.3 1.0
O B:SER308 3.4 22.1 1.0
O B:LEU304 3.6 24.4 1.0
O B:VAL231 3.7 21.3 1.0
C B:GLY232 3.7 25.6 1.0
CA B:GLY232 3.8 22.0 1.0
CD B:PRO270 4.0 20.7 1.0
C B:PHE306 4.1 51.5 1.0
C B:GLY268 4.1 16.3 1.0
CD B:PRO257 4.3 14.1 1.0
N B:PHE306 4.5 40.9 1.0
CG B:PRO270 4.5 15.5 1.0
C B:VAL231 4.5 19.2 1.0
CD2 B:PHE306 4.6 49.0 1.0
C B:SER308 4.6 21.5 1.0
CB B:PHE306 4.6 37.3 1.0
CA B:PHE306 4.6 48.8 1.0
C B:LEU304 4.6 24.7 1.0
N B:GLY232 4.7 17.9 1.0
CG B:PRO257 4.7 14.3 1.0
CA B:GLY268 4.7 16.4 1.0
OE2 B:GLU256 4.7 20.7 1.0
N B:SER308 4.8 22.8 1.0
N B:GLY233 4.9 19.4 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Tue Jul 30 21:11:39 2024

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