Fluorine in PDB 5dx6: Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate

All present enzymatic activity of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate:
2.2.1.6;

The structure of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate, PDB code: 5dx6 was solved by A.J.Latta, M.J.Mcleish, F.H.Andrews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.57 / 1.75
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.800, 134.010, 110.772, 90.00, 95.50, 90.00
R / Rfree (%)	15.1 / 19

The structure of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Fluorine atom in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate (pdb code 5dx6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate, PDB code: 5dx6:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:F604 b:53.3 occ:1.00 F10 A:5GY604 0.0 53.3 1.0 C09 A:5GY604 1.4 53.0 1.0 C07 A:5GY604 2.4 50.1 1.0 C06 A:5GY604 3.3 45.3 0.6 C04 A:5GY604 3.4 34.2 1.0 O08 A:5GY604 3.5 51.9 0.4 N05 A:5GY604 3.7 38.2 1.0 CG2 A:VAL480 4.5 38.2 1.0 OE1 A:GLN420 4.6 46.7 1.0 C03 A:5GY604 4.7 32.4 1.0 S11 A:5GY604 4.8 46.9 0.9 N01 A:5GY604 4.9 36.5 1.0 C24 A:5GY604 5.0 39.2 1.0

Fluorine binding site 2 out of 2 in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate within 5.0Å range: probe atom residue distance (Å) B Occ B:F604 b:67.0 occ:1.00 F05 B:65S604 0.0 67.0 1.0 C04 B:65S604 1.3 67.2 1.0 C03 B:65S604 2.3 67.5 1.0 C02 B:65S604 2.6 64.1 1.0 CD2 B:TYR406 2.8 54.1 1.0 O B:ARG403 3.0 28.7 1.0 O01 B:65S604 3.1 65.8 1.0 O07 B:65S604 3.2 60.0 1.0 O B:ALA402 3.4 26.7 1.0 CE2 B:TYR406 3.4 56.1 1.0 O06 B:65S604 3.4 70.0 1.0 C B:ARG403 3.6 27.2 1.0 N B:LEU405 3.6 30.4 1.0 N B:TYR406 3.7 37.3 1.0 CG B:TYR406 3.7 51.9 1.0 O B:HOH761 3.7 24.6 1.0 CB B:TYR406 4.1 46.2 1.0 N B:TYR404 4.1 27.9 1.0 O B:HOH703 4.2 57.0 1.0 CA B:TYR404 4.2 29.8 1.0 C B:TYR404 4.2 30.5 1.0 CA B:LEU405 4.4 31.7 1.0 CB B:LEU405 4.4 31.3 1.0 CA B:ARG403 4.4 25.4 1.0 CA B:TYR406 4.5 42.5 1.0 C B:LEU405 4.5 34.5 1.0 C B:ALA402 4.5 24.0 1.0 CZ B:TYR406 4.5 58.9 1.0 OE1 B:GLN266 4.8 47.0 1.0 CD1 B:TYR406 4.8 54.9 1.0 N B:ARG403 4.9 23.9 1.0 NH1 B:ARG259 5.0 41.4 1.0

A.J.Latta, M.J.Mcleish, F.H.Andrews. Characterization of Acetolactate Synthase From Klebsiella Pneumoniae To Be Published.