Fluorine in PDB 6wx3: High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.

Enzymatic activity of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.

All present enzymatic activity of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.:
4.2.1.20;

Protein crystallography data

The structure of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form., PDB code: 6wx3 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) 36.23 / 1.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.118, 59.06, 67.405, 90, 94.84, 90
R / Rfree (%) 15.5 / 18.1

Other elements in 6wx3:

The structure of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. also contains other interesting chemical elements:

Caesium (Cs) 3 atoms
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. (pdb code 6wx3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form., PDB code: 6wx3:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6wx3

Go back to Fluorine Binding Sites List in 6wx3
Fluorine binding site 1 out of 3 in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:13.0
occ:1.00
F9F A:F9F301 0.0 13.0 1.0
C8 A:F9F301 1.3 12.3 1.0
F10 A:F9F301 2.1 12.7 1.0
O7 A:F9F301 2.1 13.0 1.0
F11 A:F9F301 2.1 14.6 1.0
O A:HOH543 3.1 10.2 1.0
O A:HOH676 3.2 12.8 1.0
O B:HOH1778 3.3 10.7 1.0
O A:ALA129 3.3 10.3 1.0
CB B:PRO18 3.4 11.0 1.0
C1 A:F9F301 3.5 12.0 1.0
CB A:ALA59 3.7 14.9 1.0
CG B:PRO18 4.0 10.8 1.0
O A:HOH562 4.1 18.8 1.0
CB A:ALA129 4.1 11.5 1.0
C A:ALA129 4.1 8.9 1.0
C6 A:F9F301 4.2 12.4 1.0
CA B:PRO18 4.2 9.1 1.0
CA A:ALA129 4.2 8.8 1.0
C2 A:F9F301 4.5 11.5 1.0
CZ A:PHE212 4.8 11.7 1.0
CG1 A:ILE153 4.8 16.0 1.0
N B:GLN19 4.9 8.5 1.0
CD1 A:ILE153 5.0 21.1 1.0

Fluorine binding site 2 out of 3 in 6wx3

Go back to Fluorine Binding Sites List in 6wx3
Fluorine binding site 2 out of 3 in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:12.7
occ:1.00
F10 A:F9F301 0.0 12.7 1.0
C8 A:F9F301 1.3 12.3 1.0
F9F A:F9F301 2.1 13.0 1.0
F11 A:F9F301 2.1 14.6 1.0
O7 A:F9F301 2.2 13.0 1.0
C1 A:F9F301 2.8 12.0 1.0
C6 A:F9F301 2.9 12.4 1.0
O A:HOH543 3.2 10.2 1.0
CA A:ALA129 3.4 8.8 1.0
CD2 A:LEU127 3.4 11.6 1.0
CD1 A:ILE153 3.5 21.1 1.0
O A:ALA129 3.5 10.3 1.0
CB A:ALA129 3.6 11.5 1.0
CG1 A:ILE153 3.7 16.0 1.0
C A:ALA129 4.0 8.9 1.0
C2 A:F9F301 4.1 11.5 1.0
C5 A:F9F301 4.2 12.4 1.0
O B:HOH1778 4.4 10.7 1.0
N A:ALA129 4.6 8.6 1.0
CG A:LEU127 4.6 10.0 1.0
O A:HOH477 4.6 17.8 0.4
O A:HOH542 4.7 21.2 1.0
O A:HOH477 4.7 12.6 0.6
CD1 A:LEU127 4.7 11.5 1.0
O A:HOH676 4.8 12.8 1.0
CB A:ILE153 5.0 14.1 1.0
O A:VAL128 5.0 9.0 1.0

Fluorine binding site 3 out of 3 in 6wx3

Go back to Fluorine Binding Sites List in 6wx3
Fluorine binding site 3 out of 3 in the High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:14.6
occ:1.00
F11 A:F9F301 0.0 14.6 1.0
C8 A:F9F301 1.3 12.3 1.0
F10 A:F9F301 2.1 12.7 1.0
F9F A:F9F301 2.1 13.0 1.0
O7 A:F9F301 2.2 13.0 1.0
C1 A:F9F301 2.9 12.0 1.0
C6 A:F9F301 2.9 12.4 1.0
O A:HOH676 3.1 12.8 1.0
O B:HOH1778 3.5 10.7 1.0
CD1 A:ILE153 3.6 21.1 1.0
CZ A:PHE212 3.8 11.7 1.0
CG1 A:ILE153 3.9 16.0 1.0
CD2 A:LEU177 3.9 18.1 1.0
O A:HOH543 4.0 10.2 1.0
CE1 A:PHE212 4.1 12.2 1.0
C2 A:F9F301 4.1 11.5 1.0
CG2 A:ILE153 4.2 16.6 1.0
C5 A:F9F301 4.2 12.4 1.0
CG A:LEU177 4.5 17.3 1.0
CD1 A:LEU177 4.6 16.8 1.0
CB A:ILE153 4.6 14.1 1.0
CE2 A:PHE212 4.7 11.8 1.0
O A:HOH562 4.9 18.8 1.0

Reference:

E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller. High Resolution Tryptophan Synthase Crystal Structure From Salmonella Typhimurium in Complex with F9 Inhibitor in the Alpha-Site, Cesium Ion at the Metal Coordination Site and Internal Aldimine Form. To Be Published.
Page generated: Sat Apr 3 15:04:16 2021

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