Fluorine in PDB 1e0y: Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase

All present enzymatic activity of Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase:
1.1.3.38;

The structure of Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase, PDB code: 1e0y was solved by R.H.H.Van Der Heuvel, W.J.H.Van Berkel, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.75
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	131.281, 131.281, 134.355, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 28.7

The binding sites of Fluorine atom in the Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase (pdb code 1e0y). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase, PDB code: 1e0y:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:78.7 occ:1.00 F1 B:FCR601 0.0 78.7 1.0 C7 B:FCR601 1.3 77.7 1.0 F3 B:FCR601 2.1 77.9 1.0 F2 B:FCR601 2.1 78.8 1.0 C1 B:FCR601 2.4 75.9 1.0 N5 B:FAD600 3.0 48.5 1.0 C2 B:FCR601 3.1 75.4 1.0 OG B:SER170 3.3 55.7 1.0 C6 B:FAD600 3.3 47.9 1.0 C5X B:FAD600 3.4 47.7 1.0 C6 B:FCR601 3.6 74.4 1.0 C4X B:FAD600 3.8 48.7 1.0 O4 B:FAD600 3.8 48.8 1.0 CB B:SER170 3.9 53.7 1.0 C4 B:FAD600 4.1 48.9 1.0 OH B:TYR187 4.3 55.4 1.0 OE2 B:GLU457 4.4 66.4 1.0 C7 B:FAD600 4.4 48.1 1.0 C3 B:FCR601 4.5 74.0 1.0 OE1 B:GLU457 4.5 65.3 1.0 C9A B:FAD600 4.6 47.8 1.0 C5 B:FCR601 4.8 73.9 1.0 CD B:GLU457 4.8 65.0 1.0 CZ2 B:TRP413 4.9 63.9 1.0 C10 B:FAD600 4.9 48.7 1.0 CE1 B:PHE424 5.0 47.6 1.0 NE1 B:TRP413 5.0 63.6 1.0

Fluorine binding site 2 out of 3 in the Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:78.8 occ:1.00 F2 B:FCR601 0.0 78.8 1.0 C7 B:FCR601 1.4 77.7 1.0 F1 B:FCR601 2.1 78.7 1.0 F3 B:FCR601 2.2 77.9 1.0 C1 B:FCR601 2.3 75.9 1.0 C6 B:FCR601 2.7 74.4 1.0 OH B:TYR187 2.8 55.4 1.0 OE2 B:GLU457 3.0 66.4 1.0 OE1 B:GLU457 3.0 65.3 1.0 CD B:GLU457 3.3 65.0 1.0 OG B:SER170 3.6 55.7 1.0 O4 B:FAD600 3.6 48.8 1.0 C2 B:FCR601 3.7 75.4 1.0 CZ B:TYR187 4.0 54.8 1.0 C5 B:FCR601 4.1 73.9 1.0 N5 B:FAD600 4.3 48.5 1.0 C4 B:FAD600 4.3 48.9 1.0 CG2 B:THR459 4.4 45.8 1.0 C4X B:FAD600 4.6 48.7 1.0 CE1 B:TYR187 4.7 54.6 1.0 CB B:SER170 4.7 53.7 1.0 CG B:GLU457 4.8 62.6 1.0 C3 B:FCR601 4.8 74.0 1.0 CE2 B:TYR187 4.9 54.3 1.0 CG1 B:ILE468 5.0 44.8 1.0

Fluorine binding site 3 out of 3 in the Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the D170S/T457E Double Mutant of Vanillyl-Alcohol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:77.9 occ:1.00 F3 B:FCR601 0.0 77.9 1.0 C7 B:FCR601 1.3 77.7 1.0 F1 B:FCR601 2.1 78.7 1.0 F2 B:FCR601 2.2 78.8 1.0 C1 B:FCR601 2.3 75.9 1.0 OE1 B:GLU457 2.9 65.3 1.0 C2 B:FCR601 2.9 75.4 1.0 C6 B:FCR601 3.3 74.4 1.0 CD B:GLU457 3.5 65.0 1.0 OE2 B:GLU457 3.6 66.4 1.0 CG2 B:ILE468 3.6 44.0 1.0 CB B:ILE468 3.9 44.5 1.0 CG1 B:ILE468 4.2 44.8 1.0 C3 B:FCR601 4.2 74.0 1.0 SG B:CYS470 4.3 38.3 1.0 CE1 B:PHE424 4.4 47.6 1.0 C5 B:FCR601 4.5 73.9 1.0 N5 B:FAD600 4.7 48.5 1.0 C4 B:FCR601 4.9 73.3 1.0 CG B:GLU457 4.9 62.6 1.0 OH B:TYR187 5.0 55.4 1.0 CZ B:PHE424 5.0 47.6 1.0 O B:ILE468 5.0 42.6 1.0

R.H.H.Van Der Heuvel, M.W.Fraaije, M.F.Espinosa, A.Mattevi, W.J.H.Van Berkel. Inversion of Stereospecificity in Vanillyl-Alcohol Oxidase Proc.Natl.Acad.Sci.Usa V. 97 9455 2000.
ISSN: ISSN 0027-8424
PubMed: 10920192
DOI: 10.1073/PNAS.160175897