Fluorine in PDB 4moh: Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Glucose

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

The structure of Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Glucose, PDB code: 4moh 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)	40.00 / 2.10
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.490, 102.490, 118.101, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 22.1

The binding sites of Fluorine atom in the Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Glucose (pdb code 4moh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pyranose 2-Oxidase V546C Mutant with 2-Fluorinated Glucose, PDB code: 4moh:

Fluorine binding site 1 out of 1 in the Pyranose 2-Oxidase V546C Mutant with 2-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 V546C Mutant with 2-Fluorinated Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:40.5 occ:1.00 F2 A:SHG802 0.0 40.5 1.0 C2 A:SHG802 1.4 35.6 1.0 C1 A:SHG802 2.4 37.4 1.0 C3 A:SHG802 2.5 34.9 1.0 O4 A:FDA801 2.8 22.3 1.0 O3 A:SHG802 2.9 33.5 1.0 O1 A:SHG802 3.0 40.8 1.0 NE2 A:GLN448 3.0 22.1 1.0 CB A:THR169 3.1 21.2 1.0 CG2 A:THR169 3.1 20.1 1.0 ND2 A:ASN593 3.4 21.3 1.0 OE1 A:GLN448 3.6 23.4 1.0 OG1 A:THR169 3.6 22.8 1.0 C4 A:FDA801 3.7 20.9 1.0 O5 A:SHG802 3.7 39.5 1.0 CD A:GLN448 3.7 21.3 1.0 N5 A:FDA801 3.8 20.2 1.0 C4 A:SHG802 3.9 34.5 1.0 C4X A:FDA801 4.1 20.6 1.0 CB A:ALA171 4.1 15.7 1.0 C5 A:SHG802 4.3 38.5 1.0 CA A:THR169 4.5 21.0 1.0 N3 A:FDA801 4.6 20.6 1.0 CG A:ASN593 4.7 22.1 1.0 CZ A:PHE474 4.8 20.2 1.0 C A:THR169 4.9 20.4 1.0 O4 A:SHG802 4.9 37.8 1.0 C5X A:FDA801 4.9 21.1 1.0 N A:ALA171 4.9 17.3 1.0 CE1 A:HIS450 4.9 21.7 1.0 N A:THR169 5.0 20.8 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