Fluorine in PDB 4mos: Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose

All present enzymatic activity of Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose:
1.1.3.10;

The structure of Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose, PDB code: 4mos was solved by T.C.Tan, O.Spadiut, R.Gandini, D.Haltrich, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.04 / 1.80
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.423, 102.423, 119.033, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19.9

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose (pdb code 4mos). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose, PDB code: 4mos:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:30.9 occ:1.00 F2 A:GAF802 0.0 30.9 1.0 C2 A:GAF802 1.4 30.6 1.0 C3 A:GAF802 2.3 27.7 1.0 C1 A:GAF802 2.4 30.0 1.0 O1 A:GAF802 2.7 33.4 1.0 O3 A:GAF802 2.8 27.7 1.0 NE2 A:GLN448 2.8 16.9 1.0 ND2 A:ASN593 3.1 14.5 1.0 O4 A:FDA801 3.1 14.9 1.0 CB A:THR169 3.4 15.1 1.0 OE1 A:GLN448 3.6 16.7 1.0 CD A:GLN448 3.6 16.4 1.0 CG2 A:THR169 3.6 15.0 1.0 O5 A:GAF802 3.6 28.8 1.0 C4 A:GAF802 3.7 29.0 1.0 OG1 A:THR169 3.8 17.1 1.0 N5 A:FDA801 3.8 12.6 1.0 C4 A:FDA801 3.8 12.3 1.0 C4X A:FDA801 3.9 12.9 1.0 C5 A:GAF802 4.1 31.7 1.0 O4 A:GAF802 4.3 32.6 1.0 CB A:ALA171 4.3 12.5 1.0 CG A:ASN593 4.5 14.9 1.0 OD2 A:ASP452 4.5 30.8 1.0 CZ A:PHE474 4.5 16.3 1.0 O A:HOH1034 4.6 24.4 1.0 N3 A:FDA801 4.6 12.0 1.0 C5X A:FDA801 4.7 13.8 1.0 CA A:THR169 4.8 14.8 1.0

Fluorine binding site 2 out of 2 in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pyranose 2-Oxidase H450G/V546C Double Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:33.6 occ:1.00 F2 A:2FG803 0.0 33.6 1.0 C2 A:2FG803 1.4 32.2 1.0 C1 A:2FG803 2.4 33.0 1.0 C3 A:2FG803 2.4 31.6 1.0 O1 A:2FG803 2.8 31.8 1.0 O3 A:2FG803 2.9 33.1 1.0 O5 A:2FG803 3.7 32.5 1.0 C4 A:2FG803 3.8 29.6 1.0 O A:HOH1237 3.9 43.8 1.0 C5 A:2FG803 4.1 31.7 1.0 O4 A:2FG803 4.3 27.2 1.0 O A:HOH1220 4.6 46.0 1.0

T.C.Tan, O.Spadiut, R.Gandini, D.Haltrich, C.Divne. Structural Basis For Binding of Fluorinated Glucose and Galactose to Trametes Multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion. Plos One V. 9 86736 2014.
ISSN: ESSN 1932-6203
PubMed: 24466218
DOI: 10.1371/JOURNAL.PONE.0086736