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: Sun Dec 13 12:46:28 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy