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Fluorine in PDB 5cgq: Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.

Enzymatic activity of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site., PDB code: 5cgq was solved by E.Hilario, B.G.Caulkins, R.P.Young, 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) 39.21 / 1.18
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.553, 59.300, 67.368, 90.00, 94.82, 90.00
R / Rfree (%) 14 / 16.1

Other elements in 5cgq:

The structure of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. also contains other interesting chemical elements:

Caesium (Cs) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. (pdb code 5cgq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site., PDB code: 5cgq:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5cgq

Go back to Fluorine Binding Sites List in 5cgq
Fluorine binding site 1 out of 3 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:13.8
occ:0.77
 F9F A:F9F301 0.0 13.8 0.8
C8 A:F9F301 1.3 13.8 0.8
F10 A:F9F301 2.2 15.0 0.8
F11 A:F9F301 2.2 14.0 0.8
O7 A:F9F301 2.2 13.8 0.8
C1 A:F9F301 2.8 12.0 0.8
C6 A:F9F301 3.0 12.6 0.8
O B:HOH736 3.2 13.3 1.0
CD2 A:LEU127 3.4 14.0 1.0
CA A:ALA129 3.4 11.8 1.0
CD1 A:ILE153 3.5 22.4 1.0
O A:ALA129 3.6 13.0 1.0
CB A:ALA129 3.6 14.7 1.0
CG1 A:ILE153 3.7 19.4 1.0
C A:ALA129 4.0 11.1 1.0
C2 A:F9F301 4.1 12.3 0.8
C5 A:F9F301 4.3 13.5 0.8
O B:HOH762 4.5 13.2 1.0
O A:HOH474 4.5 16.2 0.5
O A:HOH562 4.5 19.1 0.8
N A:ALA129 4.6 11.0 1.0
CG A:LEU127 4.6 12.2 1.0
CD1 A:LEU127 4.7 15.1 1.0
O A:HOH474 4.7 13.2 0.5
O A:HOH650 4.8 16.9 1.0
CB A:ILE153 4.9 17.8 1.0
O A:VAL128 5.0 11.3 1.0
CB A:ALA59 5.0 17.4 1.0

Fluorine binding site 2 out of 3 in 5cgq

Go back to Fluorine Binding Sites List in 5cgq
Fluorine binding site 2 out of 3 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:15.0
occ:0.77
 F10 A:F9F301 0.0 15.0 0.8
C8 A:F9F301 1.3 13.8 0.8
F9F A:F9F301 2.2 13.8 0.8
F11 A:F9F301 2.2 14.0 0.8
O7 A:F9F301 2.3 13.8 0.8
C1 A:F9F301 2.9 12.0 0.8
C6 A:F9F301 3.0 12.6 0.8
O A:HOH650 3.1 16.9 1.0
O B:HOH762 3.4 13.2 1.0
CD1 A:ILE153 3.5 22.4 1.0
CG1 A:ILE153 3.8 19.4 1.0
CZ A:PHE212 3.8 15.0 1.0
CD2 A:LEU177 3.9 19.1 1.0
O B:HOH736 3.9 13.3 1.0
CG2 A:ILE153 4.0 20.9 1.0
CE1 A:PHE212 4.1 15.0 1.0
C2 A:F9F301 4.2 12.3 0.8
C5 A:F9F301 4.3 13.5 0.8
CB A:ILE153 4.5 17.8 1.0
CG A:LEU177 4.5 19.2 1.0
CD1 A:LEU177 4.6 17.8 1.0
CE2 A:PHE212 4.8 15.9 1.0
O A:HOH543 4.9 20.6 1.0

Fluorine binding site 3 out of 3 in 5cgq

Go back to Fluorine Binding Sites List in 5cgq
Fluorine binding site 3 out of 3 in the Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand in the Alpha-Site and the Product L- Tryptophan in the Beta-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:14.0
occ:0.77
 F11 A:F9F301 0.0 14.0 0.8
C8 A:F9F301 1.3 13.8 0.8
O7 A:F9F301 2.2 13.8 0.8
F9F A:F9F301 2.2 13.8 0.8
F10 A:F9F301 2.2 15.0 0.8
O B:HOH736 3.1 13.3 1.0
O A:HOH650 3.2 16.9 1.0
O A:ALA129 3.3 13.0 1.0
O B:HOH762 3.3 13.2 1.0
CB B:PRO18 3.4 13.1 1.0
C1 A:F9F301 3.5 12.0 0.8
CB A:ALA59 3.7 17.4 1.0
CG B:PRO18 4.0 14.2 1.0
O A:HOH543 4.0 20.6 1.0
CB A:ALA129 4.1 14.7 1.0
C A:ALA129 4.1 11.1 1.0
C6 A:F9F301 4.2 12.6 0.8
CA B:PRO18 4.2 11.4 1.0
CA A:ALA129 4.2 11.8 1.0
C2 A:F9F301 4.5 12.3 0.8
CZ A:PHE212 4.8 15.0 1.0
CG1 A:ILE153 4.9 19.4 1.0
N B:GLN19 4.9 10.9 1.0

Reference:

E.Hilario, B.G.Caulkins, R.P.Young, M.F.Dunn, L.J.Mueller, L.Fan. Crystal Structure of Tryptophan Synthase From Salmonella Typhimurium in Complex with F9 Ligand and the Product L-Tryptophan in the Beta-Site. To Be Published.
Page generated: Thu Aug 1 08:30:45 2024

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