Fluorine in PDB 4mom: Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Galactose

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

The structure of Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Galactose, PDB code: 4mom 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 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	99.896, 102.423, 137.365, 90.00, 91.19, 90.00
R / Rfree (%)	23.8 / 28

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H450G Mutant with 3-Fluorinated Galactose (pdb code 4mom). 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 Galactose, PDB code: 4mom:
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 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 H450G Mutant with 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:33.6 occ:1.00 F3 A:2H5802 0.0 33.6 1.0 C3 A:2H5802 1.4 31.0 1.0 C2 A:2H5802 2.3 30.8 1.0 C4 A:2H5802 2.4 31.8 1.0 NE2 A:GLN448 2.8 20.1 1.0 O2 A:2H5802 2.8 31.6 1.0 O4 A:2H5802 2.8 29.5 1.0 ND2 A:ASN593 3.2 18.0 1.0 OE1 A:GLN448 3.4 19.5 1.0 CD A:GLN448 3.4 19.4 1.0 O4 A:FDA801 3.6 7.7 1.0 C1 A:2H5802 3.7 34.0 1.0 C5 A:2H5802 3.7 34.3 1.0 CG2 A:THR169 3.8 15.9 1.0 CB A:THR169 3.9 15.5 1.0 C4 A:FDA801 3.9 7.7 1.0 N5 A:FDA801 4.0 8.6 1.0 O5 A:2H5802 4.1 33.4 1.0 OG1 A:THR169 4.3 17.1 1.0 OD2 A:ASP452 4.4 32.7 1.0 CZ A:PHE474 4.4 15.7 1.0 C4X A:FDA801 4.4 8.1 1.0 CB A:ALA171 4.5 12.6 1.0 CG A:ASN593 4.5 18.0 1.0 O A:HOH959 4.5 24.8 1.0 O1 A:2H5802 4.7 30.6 1.0 CE2 A:PHE474 4.8 15.3 1.0 CG A:GLN448 4.8 18.7 1.0 CE1 A:HIS548 4.9 19.6 1.0 C5X A:FDA801 5.0 9.1 1.0

Fluorine binding site 2 out of 4 in the Pyranose 2-Oxidase H450G 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 H450G Mutant with 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:F703 b:29.9 occ:1.00 F3 B:2H5703 0.0 29.9 1.0 C3 B:2H5703 1.4 27.0 1.0 C2 B:2H5703 2.3 25.1 1.0 C4 B:2H5703 2.4 26.9 1.0 O4 B:2H5703 2.6 24.9 1.0 O2 B:2H5703 2.7 25.1 1.0 NE2 B:GLN448 3.2 15.7 1.0 O4 B:FDA702 3.5 6.5 1.0 CB B:THR169 3.5 12.1 1.0 CG2 B:THR169 3.6 12.7 1.0 C1 B:2H5703 3.7 26.7 1.0 ND2 B:ASN593 3.7 14.1 1.0 C5 B:2H5703 3.8 26.4 1.0 OG1 B:THR169 3.8 13.2 1.0 CD B:GLN448 3.9 16.0 1.0 N5 B:FDA702 3.9 7.2 1.0 OD2 B:ASP452 3.9 27.3 1.0 OE1 B:GLN448 3.9 17.5 1.0 C4 B:FDA702 4.0 8.6 1.0 C4X B:FDA702 4.1 8.2 1.0 O5 B:2H5703 4.2 24.8 1.0 O B:HOH991 4.3 23.6 1.0 CZ B:PHE474 4.5 15.4 1.0 O1 B:2H5703 4.6 28.8 1.0 CB B:ALA171 4.7 10.7 1.0 C6 B:2H5703 4.8 26.7 1.0 C5X B:FDA702 4.8 7.7 1.0 N3 B:FDA702 4.9 8.1 1.0 CA B:THR169 4.9 11.7 1.0 CE2 B:PHE474 5.0 15.8 1.0 C6 B:FDA702 5.0 6.8 1.0 CG B:ASN593 5.0 14.8 1.0

Fluorine binding site 3 out of 4 in the Pyranose 2-Oxidase H450G 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 H450G Mutant with 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ C:F802 b:50.8 occ:1.00 F3 C:2H5802 0.0 50.8 1.0 C3 C:2H5802 1.4 44.0 1.0 C2 C:2H5802 2.3 40.6 1.0 C4 C:2H5802 2.5 43.3 1.0 O2 C:2H5802 2.6 39.4 1.0 ND2 C:ASN593 2.8 24.4 1.0 NE2 C:GLN448 2.9 22.1 1.0 O4 C:2H5802 2.9 41.6 1.0 OE1 C:GLN448 3.2 22.4 1.0 O4 C:FDA801 3.3 20.2 1.0 CD C:GLN448 3.5 22.2 1.0 C1 C:2H5802 3.7 39.2 1.0 CB C:THR169 3.7 21.8 1.0 C5 C:2H5802 3.8 44.0 1.0 OG1 C:THR169 3.8 24.1 1.0 CG2 C:THR169 3.9 20.7 1.0 N5 C:FDA801 3.9 18.4 1.0 C4X C:FDA801 4.1 20.8 1.0 C4 C:FDA801 4.1 20.5 1.0 O5 C:2H5802 4.2 42.4 1.0 CG C:ASN593 4.2 24.7 1.0 CB C:ALA171 4.3 17.7 1.0 CZ C:PHE474 4.3 30.9 1.0 OD2 C:ASP452 4.4 39.0 1.0 O C:HOH1061 4.5 28.2 1.0 N3 C:FDA801 4.6 20.4 1.0 CE2 C:PHE474 4.6 31.3 1.0 O1 C:2H5802 4.7 40.5 1.0 OD1 C:ASN593 4.9 24.4 1.0 CG C:GLN448 4.9 22.1 1.0 C5X C:FDA801 5.0 18.5 1.0

Fluorine binding site 4 out of 4 in the Pyranose 2-Oxidase H450G 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 H450G Mutant with 3-Fluorinated Galactose within 5.0Å range: probe atom residue distance (Å) B Occ D:F802 b:30.9 occ:1.00 F3 D:2H5802 0.0 30.9 1.0 C3 D:2H5802 1.4 28.9 1.0 C2 D:2H5802 2.4 30.4 1.0 C4 D:2H5802 2.4 29.5 1.0 O2 D:2H5802 2.8 32.8 1.0 NE2 D:GLN448 2.9 17.7 1.0 O4 D:2H5802 2.9 26.7 1.0 O4 D:FDA801 3.5 14.4 1.0 ND2 D:ASN593 3.6 16.8 1.0 CB D:THR169 3.7 22.3 1.0 C5 D:2H5802 3.7 29.9 1.0 CD D:GLN448 3.7 17.8 1.0 C1 D:2H5802 3.7 32.7 1.0 OG1 D:THR169 3.7 25.4 1.0 OE1 D:GLN448 3.8 18.0 1.0 N5 D:FDA801 4.0 13.0 1.0 OD2 D:ASP452 4.0 43.2 1.0 CG2 D:THR169 4.0 22.7 1.0 C4 D:FDA801 4.0 13.4 1.0 O5 D:2H5802 4.1 34.1 1.0 C4X D:FDA801 4.2 13.1 1.0 O D:HOH983 4.2 31.6 1.0 CZ D:PHE474 4.4 17.6 1.0 CB D:ALA171 4.5 14.4 1.0 CG D:ASN593 4.8 17.1 1.0 O1 D:2H5802 4.8 33.7 1.0 CE2 D:PHE474 4.8 18.8 1.0 N3 D:FDA801 4.9 12.0 1.0 C6 D:2H5802 5.0 29.9 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