Fluorine in PDB 7lt4: The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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: 7lt4 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 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.419, 59.426, 67.332, 90, 94.76, 90
R / Rfree (%) 19.8 / 24.2

Other elements in 7lt4:

The structure of The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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) 8 atoms
Caesium (Cs) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 7lt4). 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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: 7lt4:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7lt4

Go back to Fluorine Binding Sites List in 7lt4
Fluorine binding site 1 out of 3 in the The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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:F304

b:31.5
occ:1.00
 F9F A:F9F304 0.0 31.5 1.0
C8 A:F9F304 1.4 30.6 1.0
F10 A:F9F304 2.2 31.8 1.0
O7 A:F9F304 2.2 34.2 1.0
F11 A:F9F304 2.2 30.5 1.0
O B:HOH629 3.0 25.6 1.0
O A:HOH503 3.1 31.0 1.0
O B:HOH666 3.3 22.3 1.0
O A:ALA129 3.3 24.1 1.0
CB B:PRO18 3.3 18.6 1.0
C1 A:F9F304 3.6 30.4 1.0
CG B:PRO18 3.9 19.8 1.0
CB A:ALA59 3.9 32.1 1.0
O A:HOH446 4.0 37.5 1.0
CA B:PRO18 4.1 19.2 1.0
C A:ALA129 4.1 19.2 1.0
CA A:ALA129 4.2 19.1 1.0
CB A:ALA129 4.2 23.9 1.0
C2 A:F9F304 4.2 27.7 1.0
CZ A:PHE212 4.5 54.7 1.0
C6 A:F9F304 4.6 28.7 1.0
CG1 A:ILE153 4.7 25.5 1.0
N B:GLN19 4.8 16.9 1.0
CD1 A:ILE153 4.9 28.8 1.0
C B:PRO18 5.0 20.8 1.0

Fluorine binding site 2 out of 3 in 7lt4

Go back to Fluorine Binding Sites List in 7lt4
Fluorine binding site 2 out of 3 in the The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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:F304

b:31.8
occ:1.00
 F10 A:F9F304 0.0 31.8 1.0
C8 A:F9F304 1.4 30.6 1.0
F9F A:F9F304 2.2 31.5 1.0
F11 A:F9F304 2.2 30.5 1.0
O7 A:F9F304 2.3 34.2 1.0
C1 A:F9F304 3.0 30.4 1.0
O B:HOH629 3.0 25.6 1.0
C2 A:F9F304 3.1 27.7 1.0
CD1 A:ILE153 3.2 28.8 1.0
CG1 A:ILE153 3.3 25.5 1.0
CD2 A:LEU127 3.3 21.1 1.0
CA A:ALA129 3.6 19.1 1.0
O A:ALA129 3.7 24.1 1.0
CB A:ALA129 4.0 23.9 1.0
O A:HOH465 4.1 32.6 1.0
C A:ALA129 4.2 19.2 1.0
O B:HOH666 4.3 22.3 1.0
C6 A:F9F304 4.3 28.7 1.0
C3 A:F9F304 4.4 25.3 1.0
CG A:LEU127 4.5 23.3 1.0
CB A:ILE153 4.6 26.5 1.0
CD1 A:LEU127 4.6 26.9 1.0
N A:ALA129 4.6 19.5 1.0
O A:HOH503 4.8 31.0 1.0
CG2 A:ILE153 4.9 26.7 1.0
O A:VAL128 5.0 16.3 1.0

Fluorine binding site 3 out of 3 in 7lt4

Go back to Fluorine Binding Sites List in 7lt4
Fluorine binding site 3 out of 3 in the The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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:F304

b:30.5
occ:1.00
 F11 A:F9F304 0.0 30.5 1.0
C8 A:F9F304 1.4 30.6 1.0
F10 A:F9F304 2.2 31.8 1.0
F9F A:F9F304 2.2 31.5 1.0
O7 A:F9F304 2.3 34.2 1.0
C1 A:F9F304 2.9 30.4 1.0
C2 A:F9F304 2.9 27.7 1.0
O A:HOH503 3.0 31.0 1.0
CZ A:PHE212 3.4 54.7 1.0
CD1 A:ILE153 3.6 28.8 1.0
O B:HOH666 3.6 22.3 1.0
CE1 A:PHE212 3.8 61.8 1.0
CG1 A:ILE153 4.0 25.5 1.0
CE2 A:PHE212 4.0 56.9 1.0
CD1 A:LEU177 4.0 30.2 1.0
O B:HOH629 4.1 25.6 1.0
C6 A:F9F304 4.2 28.7 1.0
C3 A:F9F304 4.2 25.3 1.0
CG2 A:ILE153 4.4 26.7 1.0
CD2 A:LEU177 4.5 24.4 1.0
CD1 A:PHE212 4.7 64.6 1.0
O A:HOH446 4.8 37.5 1.0
CB A:ILE153 4.8 26.5 1.0
CD2 A:PHE212 4.9 62.4 1.0
CG A:LEU177 4.9 29.4 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 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 Aug 2 09:01:31 2024

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