Fluorine in PDB 4mop: Pyranose 2-Oxidase V546C Mutant with 3-Fluorinated Galactose

All present enzymatic activity of Pyranose 2-Oxidase V546C Mutant with 3-Fluorinated Galactose:
1.1.3.10;

The structure of Pyranose 2-Oxidase V546C Mutant with 3-Fluorinated Galactose, PDB code: 4mop 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)	48.23 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.971, 102.980, 137.654, 90.00, 90.92, 90.00
R / Rfree (%)	19.3 / 24.8

The binding sites of Fluorine atom in the Pyranose 2-Oxidase V546C Mutant with 3-Fluorinated Galactose (pdb code 4mop). 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 V546C Mutant with 3-Fluorinated Galactose, PDB code: 4mop:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Pyranose 2-Oxidase V546C Mutant with 3-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 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:33.3 occ:1.00 F3 A:2H5802 0.0 33.3 1.0 C3 A:2H5802 1.4 36.9 1.0 C2 A:2H5802 2.4 32.3 1.0 C4 A:2H5802 2.5 33.9 1.0 O2 A:2H5802 2.8 29.6 1.0 O4 A:FDA801 2.9 26.9 1.0 O4 A:2H5802 3.0 32.4 1.0 NE2 A:GLN448 3.1 28.5 1.0 OE1 A:GLN448 3.2 31.6 1.0 ND2 A:ASN593 3.2 20.9 1.0 CB A:THR169 3.5 25.9 1.0 CD A:GLN448 3.5 29.9 1.0 OG1 A:THR169 3.6 28.7 1.0 CG2 A:THR169 3.7 28.2 1.0 C1 A:2H5802 3.8 37.3 1.0 N5 A:FDA801 3.9 30.6 1.0 C4 A:FDA801 3.9 27.1 1.0 C5 A:2H5802 3.9 34.5 1.0 C4X A:FDA801 4.2 28.4 1.0 CB A:ALA171 4.2 22.9 1.0 O5 A:2H5802 4.3 32.1 1.0 CG A:ASN593 4.5 25.1 1.0 CZ A:PHE474 4.6 31.8 1.0 OD2 A:ASP452 4.6 41.1 1.0 N3 A:FDA801 4.7 26.4 1.0 CA A:THR169 4.9 24.1 1.0 C5X A:FDA801 5.0 29.5 1.0

Fluorine binding site 2 out of 4 in the Pyranose 2-Oxidase V546C Mutant with 3-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 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:39.1 occ:1.00 F3 B:2H5802 0.0 39.1 1.0 C3 B:2H5802 1.4 39.2 1.0 C2 B:2H5802 2.4 38.5 1.0 C4 B:2H5802 2.5 41.1 1.0 O2 B:2H5802 2.8 34.6 1.0 O4 B:2H5802 2.9 45.2 1.0 NE2 B:GLN448 2.9 35.2 1.0 ND2 B:ASN593 3.3 24.2 1.0 OE1 B:GLN448 3.5 33.9 1.0 CG2 B:THR169 3.5 32.6 1.0 CD B:GLN448 3.6 32.1 1.0 O4 B:FDA801 3.7 30.3 1.0 CB B:THR169 3.7 30.9 1.0 C1 B:2H5802 3.7 42.8 1.0 C5 B:2H5802 3.8 41.2 1.0 OG1 B:THR169 4.1 33.0 1.0 C4 B:FDA801 4.1 29.1 1.0 O5 B:2H5802 4.1 44.9 1.0 N5 B:FDA801 4.3 26.3 1.0 CB B:ALA171 4.3 27.5 1.0 CZ B:PHE474 4.4 27.3 1.0 C4X B:FDA801 4.4 29.6 1.0 OD2 B:ASP452 4.5 42.2 1.0 CG B:ASN593 4.6 29.6 1.0 O1 B:2H5802 4.8 44.8 1.0 N3 B:FDA801 4.9 29.7 1.0 NE2 B:HIS450 4.9 34.1 1.0

Fluorine binding site 3 out of 4 in the Pyranose 2-Oxidase V546C Mutant with 3-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 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ C:F703 b:43.7 occ:1.00 F3 C:2H5703 0.0 43.7 1.0 C3 C:2H5703 1.4 45.0 1.0 C2 C:2H5703 2.4 39.1 1.0 C4 C:2H5703 2.5 41.1 1.0 O4 C:2H5703 2.8 36.5 1.0 O2 C:2H5703 2.9 36.7 1.0 NE2 C:GLN448 3.0 31.1 1.0 O4 C:FDA702 3.2 31.9 1.0 OG1 C:THR169 3.2 31.7 1.0 CB C:THR169 3.4 33.4 1.0 ND2 C:ASN593 3.5 29.7 1.0 OE1 C:GLN448 3.6 31.4 1.0 C1 C:2H5703 3.7 41.1 1.0 CD C:GLN448 3.7 31.5 1.0 CG2 C:THR169 3.8 34.3 1.0 C5 C:2H5703 3.9 40.7 1.0 C4 C:FDA702 4.0 31.1 1.0 N5 C:FDA702 4.1 27.6 1.0 CB C:ALA171 4.3 31.7 1.0 C4X C:FDA702 4.4 27.6 1.0 O5 C:2H5703 4.4 38.5 1.0 OD2 C:ASP452 4.5 49.9 1.0 O1 C:2H5703 4.7 47.7 1.0 CE1 C:HIS450 4.8 34.8 1.0 CA C:THR169 4.8 32.3 1.0 CZ C:PHE474 4.8 27.2 1.0 CG C:ASN593 4.8 32.9 1.0 N3 C:FDA702 4.9 30.7 1.0

Fluorine binding site 4 out of 4 in the Pyranose 2-Oxidase V546C Mutant with 3-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 V546C Mutant with 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ D:F802 b:43.9 occ:1.00 F3 D:2H5802 0.0 43.9 1.0 C3 D:2H5802 1.4 43.7 1.0 C2 D:2H5802 2.4 43.1 1.0 C4 D:2H5802 2.6 43.0 1.0 O2 D:2H5802 2.7 44.8 1.0 O4 D:2H5802 3.0 43.4 1.0 NE2 D:GLN448 3.0 38.9 1.0 ND2 D:ASN593 3.1 36.0 1.0 O4 D:FDA801 3.2 32.6 1.0 OE1 D:GLN448 3.5 39.8 1.0 CD D:GLN448 3.7 40.4 1.0 C1 D:2H5802 3.7 42.6 1.0 CB D:THR169 3.8 38.0 1.0 C5 D:2H5802 3.9 46.5 1.0 C4 D:FDA801 3.9 37.5 1.0 OG1 D:THR169 4.0 37.9 1.0 CB D:ALA171 4.1 35.0 1.0 N5 D:FDA801 4.1 34.3 1.0 O5 D:2H5802 4.3 45.9 1.0 C4X D:FDA801 4.3 37.1 1.0 CG2 D:THR169 4.3 36.9 1.0 CG D:ASN593 4.4 37.8 1.0 CZ D:PHE474 4.5 40.0 1.0 O1 D:2H5802 4.6 45.3 1.0 OD2 D:ASP452 4.8 51.3 1.0 N3 D:FDA801 5.0 37.1 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