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Fluorine 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:

Caesium (Cs) 5 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

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

Fluorine binding site 1 out of 3 in 6c73

Go back to Fluorine Binding Sites List in 6c73
Fluorine binding site 1 out of 3 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 Fluorine with other atoms in the F 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:F310

b:16.7
occ:0.95
 F9F A:F9F310 0.0 16.7 0.9
C8 A:F9F310 1.3 16.6 0.9
F10 A:F9F310 2.1 17.0 0.9
F11 A:F9F310 2.2 18.6 0.9
O7 A:F9F310 2.2 18.8 0.9
O A:HOH551 3.1 13.1 1.0
O A:HOH666 3.2 18.4 1.0
O B:HOH770 3.2 12.2 1.0
O A:ALA129 3.3 14.5 1.0
CB B:PRO18 3.4 13.3 1.0
C1 A:F9F310 3.5 15.8 0.9
CB A:ALA59 3.6 18.3 1.0
CG B:PRO18 4.0 14.2 1.0
CB A:ALA129 4.0 12.1 1.0
O A:HOH543 4.0 21.7 1.0
C A:ALA129 4.1 12.3 1.0
CA A:ALA129 4.2 11.7 1.0
CA B:PRO18 4.2 12.8 1.0
C2 A:F9F310 4.2 15.9 0.9
C6 A:F9F310 4.6 16.4 0.9
CG1 A:ILE153 4.8 21.6 1.0
CD1 A:ILE153 4.8 22.4 1.0
CZ A:PHE212 4.8 16.6 1.0
N B:GLN19 4.9 11.5 1.0
CA A:ALA59 5.0 16.4 1.0

Fluorine binding site 2 out of 3 in 6c73

Go back to Fluorine Binding Sites List in 6c73
Fluorine binding site 2 out of 3 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 Fluorine with other atoms in the F 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
A:F310

b:17.0
occ:0.95
 F10 A:F9F310 0.0 17.0 0.9
C8 A:F9F310 1.3 16.6 0.9
F9F A:F9F310 2.1 16.7 0.9
F11 A:F9F310 2.2 18.6 0.9
O7 A:F9F310 2.3 18.8 0.9
C1 A:F9F310 2.9 15.8 0.9
C2 A:F9F310 3.1 15.9 0.9
O A:HOH551 3.2 13.1 1.0
CD1 A:ILE153 3.3 22.4 1.0
CA A:ALA129 3.4 11.7 1.0
CD2 A:LEU127 3.4 12.5 1.0
CG1 A:ILE153 3.5 21.6 1.0
CB A:ALA129 3.5 12.1 1.0
O A:ALA129 3.5 14.5 1.0
C A:ALA129 4.0 12.3 1.0
C6 A:F9F310 4.2 16.4 0.9
O A:HOH517 4.3 23.6 1.0
C3 A:F9F310 4.4 15.1 0.9
O B:HOH770 4.4 12.2 1.0
N A:ALA129 4.6 11.1 1.0
CG A:LEU127 4.6 12.0 1.0
CD1 A:LEU127 4.7 13.4 1.0
O A:HOH666 4.8 18.4 1.0
CB A:ILE153 4.8 19.4 1.0
CB A:ALA59 4.9 18.3 1.0
O A:VAL128 4.9 10.9 1.0

Fluorine binding site 3 out of 3 in 6c73

Go back to Fluorine Binding Sites List in 6c73
Fluorine binding site 3 out of 3 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 Fluorine with other atoms in the F 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
A:F310

b:18.6
occ:0.95
 F11 A:F9F310 0.0 18.6 0.9
C8 A:F9F310 1.3 16.6 0.9
F10 A:F9F310 2.2 17.0 0.9
F9F A:F9F310 2.2 16.7 0.9
O7 A:F9F310 2.2 18.8 0.9
C1 A:F9F310 2.9 15.8 0.9
C2 A:F9F310 3.0 15.9 0.9
O A:HOH666 3.1 18.4 1.0
CD1 A:ILE153 3.2 22.4 1.0
O B:HOH770 3.5 12.2 1.0
CG1 A:ILE153 3.8 21.6 1.0
CZ A:PHE212 3.8 16.6 1.0
O A:HOH551 4.0 13.1 1.0
CD2 A:LEU177 4.0 21.6 1.0
CE1 A:PHE212 4.1 15.5 1.0
CG2 A:ILE153 4.2 19.3 1.0
C6 A:F9F310 4.2 16.4 0.9
C3 A:F9F310 4.3 15.1 0.9
CG A:LEU177 4.4 22.4 1.0
CD1 A:LEU177 4.5 19.2 1.0
CB A:ILE153 4.6 19.4 1.0
CE2 A:PHE212 4.7 16.1 1.0
O A:HOH543 5.0 21.7 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: Thu Aug 1 18:29:33 2024

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