Fluorine in PDB 4moq: Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Galactose

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

The structure of Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Galactose, PDB code: 4moq 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)	47.32 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.724, 101.724, 251.284, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.2

The binding sites of Fluorine atom in the Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Galactose (pdb code 4moq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Galactose, PDB code: 4moq:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Pyranose 2-Oxidase V546C 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 V546C Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:24.1 occ:1.00 F2 A:2FG802 0.0 24.1 1.0 C2 A:2FG802 1.4 22.6 1.0 C1 A:2FG802 2.3 23.2 1.0 C3 A:2FG802 2.3 23.2 1.0 O1 A:2FG802 2.6 21.2 1.0 O3 A:2FG802 2.7 22.3 1.0 NE2 A:GLN448 2.8 13.7 1.0 ND2 A:ASN593 2.9 14.4 1.0 OE1 A:GLN448 3.2 13.3 1.0 CD A:GLN448 3.4 14.2 1.0 O5 A:2FG802 3.5 26.2 1.0 O4 A:FDA801 3.7 10.7 1.0 C4 A:2FG802 3.7 23.9 1.0 CZ A:PHE474 3.7 14.2 1.0 C5 A:2FG802 4.1 24.3 1.0 C4 A:FDA801 4.1 10.6 1.0 CG A:ASN593 4.2 13.2 1.0 CG2 A:THR169 4.3 18.1 1.0 O4 A:2FG802 4.3 23.3 1.0 N5 A:FDA801 4.3 11.0 1.0 CB A:THR169 4.3 15.6 1.0 CE1 A:PHE474 4.4 13.5 1.0 CE2 A:PHE474 4.4 14.7 1.0 C4X A:FDA801 4.6 11.2 1.0 CB A:ALA171 4.6 10.5 1.0 CE1 A:HIS548 4.7 15.0 1.0 OD2 A:ASP452 4.7 31.4 1.0 OG1 A:THR169 4.8 21.0 1.0 CG A:GLN448 4.8 12.3 1.0 NE2 A:HIS548 4.9 15.8 1.0 OD1 A:ASN593 4.9 13.9 1.0 N3 A:FDA801 5.0 9.8 1.0

Fluorine binding site 2 out of 3 in the Pyranose 2-Oxidase V546C 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 V546C Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:46.5 occ:1.00 F2 A:2FG803 0.0 46.5 1.0 C2 A:2FG803 1.4 42.3 1.0 C1 A:2FG803 2.4 40.1 1.0 C3 A:2FG803 2.4 43.8 1.0 O3 A:2FG803 2.8 39.7 1.0 O1 A:2FG803 2.8 32.7 1.0 O5 A:2FG803 3.6 39.8 1.0 C4 A:2FG803 3.8 40.6 1.0 C5 A:2FG803 4.2 43.9 1.0 O4 A:2FG803 4.4 47.0 1.0 O A:ASN402 4.5 17.8 1.0 O A:LYS403 4.7 19.1 1.0 O A:HOH1490 5.0 29.0 1.0

Fluorine binding site 3 out of 3 in the Pyranose 2-Oxidase V546C 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 V546C Mutant with 2-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:25.1 occ:1.00 F2 B:2FG802 0.0 25.1 1.0 C2 B:2FG802 1.4 19.0 1.0 C1 B:2FG802 2.3 21.7 1.0 C3 B:2FG802 2.4 21.6 1.0 O1 B:2FG802 2.6 20.0 1.0 O3 B:2FG802 2.7 21.1 1.0 NE2 B:GLN448 2.9 14.8 1.0 ND2 B:ASN593 2.9 14.0 1.0 OE1 B:GLN448 3.2 14.1 1.0 CD B:GLN448 3.4 15.4 1.0 O4 B:FDA801 3.6 11.4 1.0 O5 B:2FG802 3.6 23.7 1.0 C4 B:2FG802 3.8 21.6 1.0 CZ B:PHE474 3.8 12.4 1.0 C4 B:FDA801 4.0 12.7 1.0 C5 B:2FG802 4.2 22.9 1.0 CG B:ASN593 4.2 12.0 1.0 N5 B:FDA801 4.2 11.8 1.0 CG2 B:THR169 4.3 21.9 1.0 CB B:THR169 4.3 17.4 1.0 O4 B:2FG802 4.3 22.3 1.0 C4X B:FDA801 4.3 10.6 1.0 CE1 B:PHE474 4.4 13.3 1.0 CE2 B:PHE474 4.5 12.9 1.0 CB B:ALA171 4.5 11.5 1.0 OG1 B:THR169 4.6 24.3 1.0 OD2 B:ASP452 4.7 28.2 1.0 CE1 B:HIS548 4.7 17.3 1.0 NE2 B:HIS548 4.8 16.1 1.0 CG B:GLN448 4.9 14.6 1.0 N3 B:FDA801 4.9 11.7 1.0 OD1 B:ASN593 4.9 13.6 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