Fluorine in PDB 4moi: Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose

All present enzymatic activity of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose:
1.1.3.10;

The structure of Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose, PDB code: 4moi 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)	45.88 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.504, 101.504, 238.672, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.5

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose (pdb code 4moi). 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 3-Fluorinated Glucose, PDB code: 4moi:
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 3-Fluorinated Glucose


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 3-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:27.1 occ:1.00 F3 A:G3F802 0.0 27.1 1.0 C3 A:G3F802 1.3 26.3 1.0 C4 A:G3F802 2.3 25.1 1.0 C2 A:G3F802 2.4 22.6 1.0 O4 A:G3F802 2.6 25.9 1.0 NE2 A:GLN448 2.7 19.6 1.0 O2 A:G3F802 2.9 24.4 1.0 CB A:THR169 3.4 21.3 1.0 O4 A:FDA801 3.5 16.9 1.0 CG2 A:THR169 3.5 21.2 1.0 ND2 A:ASN593 3.5 20.2 1.0 CD A:GLN448 3.6 19.2 1.0 C1 A:G3F802 3.7 22.1 1.0 C5 A:G3F802 3.7 25.3 1.0 OE1 A:GLN448 3.7 21.5 1.0 OD2 A:ASP452 3.7 26.2 1.0 C4 A:FDA801 3.7 18.6 1.0 N5 A:FDA801 3.8 18.6 1.0 OG1 A:THR169 3.8 23.8 1.0 O5 A:G3F802 4.1 22.4 1.0 C4X A:FDA801 4.2 19.3 1.0 O A:HOH1135 4.5 26.7 1.0 CZ A:PHE474 4.5 19.7 1.0 CB A:ALA171 4.5 18.9 1.0 C5X A:FDA801 4.6 18.6 1.0 O1 A:G3F802 4.7 23.8 1.0 CA A:THR169 4.7 20.7 1.0 CG A:ASN593 4.8 21.0 1.0 N3 A:FDA801 4.8 16.5 1.0 C6 A:G3F802 4.9 27.8 1.0 C6 A:FDA801 4.9 17.8 1.0 CG A:ASP452 5.0 24.5 1.0

Fluorine binding site 2 out of 2 in the Pyranose 2-Oxidase H450G/V546C Double Mutant with 3-Fluorinated Glucose


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 3-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:28.2 occ:1.00 F3 B:G3F802 0.0 28.2 1.0 C3 B:G3F802 1.4 28.0 1.0 C4 B:G3F802 2.3 25.9 1.0 C2 B:G3F802 2.3 24.6 1.0 O4 B:G3F802 2.7 27.8 1.0 O2 B:G3F802 2.9 25.3 1.0 NE2 B:GLN448 3.0 27.2 1.0 O4 B:FDA801 3.3 15.7 1.0 ND2 B:ASN593 3.3 17.2 1.0 CB B:THR169 3.5 19.4 1.0 OE1 B:GLN448 3.6 25.5 1.0 C5 B:G3F802 3.7 24.2 1.0 CD B:GLN448 3.7 25.1 1.0 CG2 B:THR169 3.7 18.4 1.0 C4 B:FDA801 3.7 16.3 1.0 C1 B:G3F802 3.7 23.9 1.0 N5 B:FDA801 3.9 19.9 1.0 OD2 B:ASP452 3.9 25.9 1.0 OG1 B:THR169 3.9 18.7 1.0 C4X B:FDA801 4.0 18.9 1.0 O5 B:G3F802 4.2 26.1 1.0 CB B:ALA171 4.3 18.6 1.0 O B:HOH997 4.4 24.0 1.0 CZ B:PHE474 4.6 19.3 1.0 CG B:ASN593 4.7 18.6 1.0 C5X B:FDA801 4.7 18.3 1.0 N3 B:FDA801 4.7 17.6 1.0 O1 B:G3F802 4.7 22.7 1.0 C6 B:G3F802 4.8 27.4 1.0 CA B:THR169 4.8 18.6 1.0 C6 B:FDA801 4.9 16.7 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