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Fluorine 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:

Caesium (Cs) 3 atoms
Chlorine (Cl) 11 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 3 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7ki7

Go back to Fluorine Binding Sites List in 7ki7
Fluorine 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 Fluorine with other atoms in the F 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
A:F301

b:28.5
occ:0.78
F9F A:F9F301 0.0 28.5 0.8
C8 A:F9F301 1.4 35.2 0.8
F10 A:F9F301 2.2 31.2 0.8
F11 A:F9F301 2.2 33.9 0.8
O7 A:F9F301 2.3 31.2 0.8
O B:HOH657 3.1 22.7 1.0
O A:ALA129 3.2 26.1 1.0
CB B:PRO18 3.3 23.5 1.0
O A:HOH556 3.4 34.8 1.0
O B:HOH681 3.4 25.7 1.0
C1 A:F9F301 3.6 30.1 0.8
CG B:PRO18 3.9 21.0 1.0
CB A:ALA59 3.9 43.9 1.0
CA B:PRO18 4.1 19.5 1.0
C A:ALA129 4.1 23.5 1.0
CB A:ALA129 4.2 24.9 1.0
C6 A:F9F301 4.2 24.4 0.8
CA A:ALA129 4.2 23.6 1.0
O A:HOH448 4.3 42.0 1.0
C2 A:F9F301 4.7 22.5 0.8
CG1 A:ILE153 4.7 33.6 1.0
CD1 A:ILE153 4.8 32.1 1.0
N B:GLN19 4.8 23.1 1.0
CZ A:PHE212 4.9 41.7 1.0
C B:PRO18 4.9 19.6 1.0

Fluorine binding site 2 out of 3 in 7ki7

Go back to Fluorine Binding Sites List in 7ki7
Fluorine 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 Fluorine with other atoms in the F 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
A:F301

b:31.2
occ:0.78
F10 A:F9F301 0.0 31.2 0.8
C8 A:F9F301 1.4 35.2 0.8
F9F A:F9F301 2.2 28.5 0.8
F11 A:F9F301 2.3 33.9 0.8
O7 A:F9F301 2.3 31.2 0.8
C1 A:F9F301 2.9 30.1 0.8
C6 A:F9F301 2.9 24.4 0.8
O B:HOH657 3.3 22.7 1.0
CD2 A:LEU127 3.3 27.2 1.0
CA A:ALA129 3.4 23.6 1.0
CD1 A:ILE153 3.5 32.1 1.0
CG1 A:ILE153 3.6 33.6 1.0
O A:ALA129 3.6 26.1 1.0
CB A:ALA129 3.6 24.9 1.0
C A:ALA129 4.0 23.5 1.0
C2 A:F9F301 4.1 22.5 0.8
C5 A:F9F301 4.2 29.0 0.8
O A:HOH482 4.3 40.0 1.0
N A:ALA129 4.5 22.4 1.0
CG A:LEU127 4.6 21.8 1.0
O B:HOH681 4.6 25.7 1.0
CD1 A:LEU127 4.7 21.9 1.0
O A:VAL128 4.9 19.4 1.0
CB A:ILE153 4.9 35.0 1.0
O A:HOH556 4.9 34.8 1.0
CD2 A:LEU100 5.0 29.9 1.0

Fluorine binding site 3 out of 3 in 7ki7

Go back to Fluorine Binding Sites List in 7ki7
Fluorine 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 Fluorine with other atoms in the F 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
A:F301

b:33.9
occ:0.78
F11 A:F9F301 0.0 33.9 0.8
C8 A:F9F301 1.4 35.2 0.8
F9F A:F9F301 2.2 28.5 0.8
F10 A:F9F301 2.3 31.2 0.8
O7 A:F9F301 2.3 31.2 0.8
C6 A:F9F301 2.9 24.4 0.8
C1 A:F9F301 2.9 30.1 0.8
O A:HOH556 3.1 34.8 1.0
CD1 A:ILE153 3.2 32.1 1.0
CZ A:PHE212 3.6 41.7 1.0
O B:HOH681 3.6 25.7 1.0
CG1 A:ILE153 3.8 33.6 1.0
CE1 A:PHE212 4.0 40.5 1.0
CD1 A:LEU177 4.0 43.4 1.0
O B:HOH657 4.0 22.7 1.0
C5 A:F9F301 4.2 29.0 0.8
C2 A:F9F301 4.2 22.5 0.8
CG2 A:ILE153 4.2 32.4 1.0
CE2 A:PHE212 4.4 47.7 1.0
CB A:ILE153 4.6 35.0 1.0
CD2 A:LEU177 4.7 41.2 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: Fri Nov 5 13:12:58 2021

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