Fluorine in PDB 4mol: Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose

All present enzymatic activity of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose:
1.1.3.10;

The structure of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose, PDB code: 4mol 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)	48.01 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.291, 102.476, 137.423, 90.00, 91.02, 90.00
R / Rfree (%)	18.6 / 22.2

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose (pdb code 4mol). 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 H167A Mutant with 2-Fluorinated Galactose, PDB code: 4mol:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Pyranose 2-Oxidase H167A 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 H167A Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:34.5 occ:1.00 F2 A:2FG802 0.0 34.5 1.0 C2 A:2FG802 1.4 32.5 1.0 C3 A:2FG802 2.4 31.3 1.0 C1 A:2FG802 2.4 31.9 1.0 O1 A:2FG802 2.7 29.5 1.0 O3 A:2FG802 2.7 34.0 1.0 ND2 A:ASN593 2.9 19.5 1.0 NE2 A:GLN448 3.0 24.1 1.0 OE1 A:GLN448 3.4 26.1 1.0 O4 A:FAD801 3.5 20.3 1.0 O5 A:2FG802 3.6 33.4 1.0 CD A:GLN448 3.6 24.2 1.0 C4 A:2FG802 3.7 32.6 1.0 CZ A:PHE474 3.8 25.1 1.0 C4 A:FAD801 4.0 20.8 1.0 O4 A:2FG802 4.1 35.1 1.0 C5 A:2FG802 4.2 33.2 1.0 CG A:ASN593 4.2 21.1 1.0 CE2 A:PHE474 4.2 23.6 1.0 CG2 A:THR169 4.2 28.7 1.0 CB A:THR169 4.2 26.1 1.0 N5 A:FAD801 4.3 20.2 1.0 C4X A:FAD801 4.4 19.8 1.0 CB A:ALA171 4.5 18.2 1.0 CE1 A:HIS548 4.7 23.1 1.0 OG1 A:THR169 4.7 28.7 1.0 CE1 A:PHE474 4.7 23.9 1.0 NE2 A:HIS548 4.8 23.6 1.0 OD2 A:ASP452 4.8 43.0 1.0 N3 A:FAD801 4.9 22.1 1.0 OD1 A:ASN593 4.9 22.5 1.0

Fluorine binding site 2 out of 4 in the Pyranose 2-Oxidase H167A 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 H167A Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:38.0 occ:1.00 F2 B:2FG802 0.0 38.0 1.0 C2 B:2FG802 1.4 34.8 1.0 C1 B:2FG802 2.3 32.7 1.0 C3 B:2FG802 2.3 33.7 1.0 O1 B:2FG802 2.6 34.6 1.0 O3 B:2FG802 2.7 34.3 1.0 ND2 B:ASN593 2.8 23.0 1.0 NE2 B:GLN448 2.9 30.1 1.0 OE1 B:GLN448 3.4 28.1 1.0 O5 B:2FG802 3.6 33.4 1.0 CD B:GLN448 3.6 27.4 1.0 O4 B:FAD801 3.6 20.4 1.0 C4 B:2FG802 3.7 34.2 1.0 CZ B:PHE474 3.8 24.7 1.0 C4 B:FAD801 3.9 19.9 1.0 C5 B:2FG802 4.1 39.9 1.0 O4 B:2FG802 4.1 36.0 1.0 CE2 B:PHE474 4.1 25.3 1.0 CG B:ASN593 4.1 23.8 1.0 N5 B:FAD801 4.2 24.5 1.0 CG2 B:THR169 4.2 31.3 1.0 CB B:THR169 4.3 29.0 1.0 C4X B:FAD801 4.4 21.1 1.0 CB B:ALA171 4.5 21.2 1.0 NE2 B:HIS548 4.6 23.7 1.0 CE1 B:HIS548 4.6 25.0 1.0 CE1 B:PHE474 4.8 24.3 1.0 OG1 B:THR169 4.8 38.0 1.0 N3 B:FAD801 4.8 19.6 1.0 OD2 B:ASP452 4.8 45.1 1.0 OD1 B:ASN593 4.9 24.4 1.0

Fluorine binding site 3 out of 4 in the Pyranose 2-Oxidase H167A 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 3 of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ C:F703 b:39.6 occ:1.00 F2 C:2FG703 0.0 39.6 1.0 C2 C:2FG703 1.3 38.0 1.0 C3 C:2FG703 2.3 37.9 1.0 C1 C:2FG703 2.3 36.0 1.0 O3 C:2FG703 2.6 41.8 1.0 O1 C:2FG703 2.7 38.2 1.0 NE2 C:GLN448 2.9 24.9 1.0 ND2 C:ASN593 3.0 26.2 1.0 OE1 C:GLN448 3.3 27.7 1.0 CD C:GLN448 3.5 27.3 1.0 O5 C:2FG703 3.6 36.8 1.0 C4 C:2FG703 3.6 40.5 1.0 CZ C:PHE474 3.6 28.1 1.0 O4 C:FAD702 3.7 25.2 1.0 O4 C:2FG703 4.1 42.8 1.0 C5 C:2FG703 4.1 43.7 1.0 CE2 C:PHE474 4.1 29.9 1.0 C4 C:FAD702 4.3 23.1 1.0 CG C:ASN593 4.4 27.6 1.0 CB C:THR169 4.4 33.9 1.0 CG2 C:THR169 4.4 36.5 1.0 N5 C:FAD702 4.4 25.8 1.0 C4X C:FAD702 4.6 26.1 1.0 CE1 C:PHE474 4.6 27.3 1.0 CB C:ALA171 4.6 26.0 1.0 CE1 C:HIS548 4.8 28.0 1.0 OG1 C:THR169 4.8 34.3 1.0 NE2 C:HIS548 4.8 31.8 1.0 CG C:GLN448 4.9 25.7 1.0 N3 C:FAD702 4.9 24.2 1.0 OD2 C:ASP452 5.0 57.3 1.0

Fluorine binding site 4 out of 4 in the Pyranose 2-Oxidase H167A 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 4 of Pyranose 2-Oxidase H167A Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ D:F802 b:38.5 occ:1.00 F2 D:2FG802 0.0 38.5 1.0 C2 D:2FG802 1.4 40.0 1.0 C1 D:2FG802 2.3 39.0 1.0 C3 D:2FG802 2.4 40.2 1.0 O1 D:2FG802 2.6 38.3 1.0 O3 D:2FG802 2.8 42.0 1.0 ND2 D:ASN593 2.8 29.5 1.0 NE2 D:GLN448 2.9 32.6 1.0 OE1 D:GLN448 3.3 33.8 1.0 CD D:GLN448 3.5 33.8 1.0 O5 D:2FG802 3.6 40.7 1.0 CZ D:PHE474 3.7 32.0 1.0 O4 D:FAD801 3.7 36.3 1.0 C4 D:2FG802 3.7 40.8 1.0 CE2 D:PHE474 3.9 33.4 1.0 C4 D:FAD801 4.0 30.7 1.0 C5 D:2FG802 4.1 40.9 1.0 O4 D:2FG802 4.1 42.2 1.0 CG D:ASN593 4.2 33.8 1.0 CG2 D:THR169 4.3 34.6 1.0 C4X D:FAD801 4.3 34.7 1.0 CB D:THR169 4.4 33.4 1.0 N5 D:FAD801 4.4 30.4 1.0 CB D:ALA171 4.5 27.7 1.0 CE1 D:HIS548 4.6 31.0 1.0 NE2 D:HIS548 4.7 32.4 1.0 CE1 D:PHE474 4.7 32.4 1.0 N3 D:FAD801 4.8 31.9 1.0 OG1 D:THR169 4.9 38.6 1.0 OD1 D:ASN593 4.9 33.2 1.0 CG D:GLN448 5.0 33.0 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