Fluorine in PDB 4moe: Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Glucose

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

The structure of Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Glucose, PDB code: 4moe 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)	50.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.068, 102.742, 137.692, 90.00, 90.80, 90.00
R / Rfree (%)	19.5 / 24.2

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Glucose (pdb code 4moe). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Glucose, PDB code: 4moe:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Pyranose 2-Oxidase H450G 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 Mutant with 3-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:20.6 occ:1.00 F3 A:G3F802 0.0 20.6 1.0 C3 A:G3F802 1.4 21.8 1.0 C2 A:G3F802 2.4 21.4 1.0 C4 A:G3F802 2.4 22.6 1.0 NE2 A:GLN448 2.8 18.4 1.0 O4 A:G3F802 2.9 25.7 1.0 O2 A:G3F802 2.9 22.9 1.0 O4 A:FDA801 3.0 9.4 1.0 ND2 A:ASN593 3.3 15.9 1.0 CB A:THR169 3.4 15.9 1.0 CG2 A:THR169 3.5 16.2 1.0 CD A:GLN448 3.6 19.2 1.0 OE1 A:GLN448 3.7 19.1 1.0 C4 A:FDA801 3.7 10.3 1.0 OG1 A:THR169 3.7 16.5 1.0 N5 A:FDA801 3.7 10.1 1.0 C1 A:G3F802 3.8 22.9 1.0 C5 A:G3F802 3.8 22.9 1.0 OD2 A:ASP452 3.9 25.6 1.0 O5 A:G3F802 4.0 26.3 1.0 C4X A:FDA801 4.1 10.3 1.0 CB A:ALA171 4.3 14.9 1.0 O A:HOH986 4.5 20.7 1.0 CG A:ASN593 4.6 16.6 1.0 N3 A:FDA801 4.7 11.1 1.0 CZ A:PHE474 4.7 15.7 1.0 CA A:THR169 4.8 15.4 1.0 C5X A:FDA801 4.8 9.5 1.0 O1 A:G3F802 4.8 24.1 1.0 C6 A:G3F802 5.0 22.8 1.0

Fluorine binding site 2 out of 4 in the Pyranose 2-Oxidase H450G 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 Mutant with 3-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:22.5 occ:1.00 F3 B:G3F802 0.0 22.5 1.0 C3 B:G3F802 1.4 24.3 1.0 C2 B:G3F802 2.2 25.0 1.0 C4 B:G3F802 2.5 24.9 1.0 O2 B:G3F802 2.6 24.6 1.0 NE2 B:GLN448 3.0 18.1 1.0 O4 B:G3F802 3.0 25.1 1.0 O4 B:FDA801 3.2 8.0 1.0 ND2 B:ASN593 3.2 13.9 1.0 C4 B:FDA801 3.5 8.8 1.0 CB B:THR169 3.5 13.9 1.0 C1 B:G3F802 3.7 24.3 1.0 N5 B:FDA801 3.7 8.3 1.0 CG2 B:THR169 3.7 14.6 1.0 C5 B:G3F802 3.8 24.6 1.0 CD B:GLN448 3.8 17.7 1.0 OE1 B:GLN448 3.8 19.4 1.0 OG1 B:THR169 3.9 14.7 1.0 OD2 B:ASP452 4.0 26.5 1.0 C4X B:FDA801 4.0 9.2 1.0 O5 B:G3F802 4.0 23.9 1.0 CZ B:PHE474 4.4 14.2 1.0 CB B:ALA171 4.4 12.3 1.0 O1 B:G3F802 4.5 24.0 1.0 CG B:ASN593 4.6 13.7 1.0 N3 B:FDA801 4.7 10.0 1.0 C5X B:FDA801 4.7 9.3 1.0 O B:HOH1000 4.7 27.8 1.0 CE2 B:PHE474 4.9 14.2 1.0 CA B:THR169 4.9 13.2 1.0 C6 B:FDA801 5.0 8.4 1.0 C6 B:G3F802 5.0 26.0 1.0

Fluorine binding site 3 out of 4 in the Pyranose 2-Oxidase H450G 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 3 of Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ C:F802 b:29.5 occ:1.00 F3 C:G3F802 0.0 29.5 1.0 C3 C:G3F802 1.4 34.0 1.0 C2 C:G3F802 2.3 35.2 1.0 C4 C:G3F802 2.4 37.5 1.0 O2 C:G3F802 2.8 33.3 1.0 O4 C:G3F802 2.9 37.4 1.0 NE2 C:GLN448 2.9 27.9 1.0 ND2 C:ASN593 3.0 26.3 1.0 O4 C:FDA801 3.5 26.0 1.0 OE1 C:GLN448 3.5 27.2 1.0 CD C:GLN448 3.6 26.7 1.0 C1 C:G3F802 3.7 37.0 1.0 C5 C:G3F802 3.8 38.5 1.0 CB C:THR169 3.8 26.0 1.0 N5 C:FDA801 3.9 21.5 1.0 CG2 C:THR169 3.9 26.3 1.0 C4 C:FDA801 4.1 25.8 1.0 C4X C:FDA801 4.1 24.5 1.0 OD2 C:ASP452 4.1 45.5 1.0 OG1 C:THR169 4.2 27.4 1.0 O5 C:G3F802 4.2 36.9 1.0 CZ C:PHE474 4.2 20.1 1.0 O C:HOH1077 4.3 33.8 1.0 CG C:ASN593 4.4 29.7 1.0 CB C:ALA171 4.4 24.4 1.0 CE2 C:PHE474 4.6 20.3 1.0 O1 C:G3F802 4.6 36.8 1.0 N3 C:FDA801 4.7 24.1 1.0 C5X C:FDA801 4.9 20.9 1.0 NE2 C:HIS548 4.9 28.8 1.0

Fluorine binding site 4 out of 4 in the Pyranose 2-Oxidase H450G 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 4 of Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ D:F802 b:28.7 occ:1.00 F3 D:G3F802 0.0 28.7 1.0 C3 D:G3F802 1.4 25.8 1.0 C2 D:G3F802 2.3 23.4 1.0 C4 D:G3F802 2.4 23.7 1.0 O2 D:G3F802 2.8 26.8 1.0 O4 D:G3F802 3.0 25.0 1.0 NE2 D:GLN448 3.0 17.7 1.0 O4 D:FDA801 3.0 17.1 1.0 CB D:THR169 3.3 19.3 1.0 ND2 D:ASN593 3.5 17.5 1.0 OG1 D:THR169 3.6 21.2 1.0 C4 D:FDA801 3.6 14.7 1.0 CG2 D:THR169 3.6 19.5 1.0 OD2 D:ASP452 3.6 34.7 1.0 C1 D:G3F802 3.7 24.9 1.0 C5 D:G3F802 3.7 23.4 1.0 N5 D:FDA801 3.8 13.9 1.0 OE1 D:GLN448 3.8 17.9 1.0 CD D:GLN448 3.8 17.4 1.0 C4X D:FDA801 4.0 13.6 1.0 O5 D:G3F802 4.0 28.5 1.0 O D:HOH1142 4.1 30.9 1.0 CB D:ALA171 4.4 16.2 1.0 N3 D:FDA801 4.6 15.4 1.0 C5X D:FDA801 4.6 12.5 1.0 O1 D:G3F802 4.7 24.1 1.0 CZ D:PHE474 4.7 16.2 1.0 CA D:THR169 4.7 18.4 1.0 CG D:ASN593 4.8 18.5 1.0 CG D:ASP452 4.8 29.2 1.0 C6 D:G3F802 5.0 25.3 1.0 C6 D:FDA801 5.0 12.8 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