Fluorine in PDB 6a24: The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate

All present enzymatic activity of The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate:
1.1.3.46;

The structure of The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate, PDB code: 6a24 was solved by T.L.Li, K.H.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.09 / 1.39
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	138.096, 138.096, 111.203, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 19.3

The binding sites of Fluorine atom in the The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate (pdb code 6a24). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate, PDB code: 6a24:

Fluorine binding site 1 out of 1 in the The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:32.6 occ:1.00 H33 A:PYR402 1.9 18.9 1.0 H32 A:PYR402 2.1 18.9 1.0 C3 A:PYR402 2.2 15.8 1.0 H31 A:PYR402 2.4 18.9 1.0 OH A:TYR128 2.9 16.5 1.0 O4 A:FMN401 3.0 14.3 1.0 CE2 A:TYR128 3.3 14.0 1.0 CZ A:TYR128 3.5 16.2 1.0 C4 A:FMN401 3.6 13.2 1.0 C2 A:PYR402 3.6 15.7 1.0 CB A:ALA79 3.7 13.2 1.0 CD1 A:LEU108 3.8 20.9 1.0 N5 A:FMN401 3.8 11.3 1.0 C4A A:FMN401 3.9 11.3 1.0 O1 A:PYR402 4.1 20.4 1.0 O A:HOH576 4.3 13.1 1.0 C1 A:PYR402 4.4 14.4 1.0 N3 A:FMN401 4.4 11.1 1.0 O3 A:PYR402 4.5 17.1 1.0 CD2 A:TYR128 4.5 14.3 1.0 C5A A:FMN401 4.8 10.0 1.0 CG A:LEU108 4.8 16.7 1.0 CE1 A:TYR128 4.8 15.4 1.0 CZ A:PHE206 5.0 24.4 1.0 CB A:LEU108 5.0 15.8 1.0

T.L.Li, K.H.Lin. The Crystal Structure of Mandelate Oxidase with 3-Fluoropyruvate To Be Published.