Fluorine in PDB 3pl8: Pyranose 2-Oxidase H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-Glucose

All present enzymatic activity of Pyranose 2-Oxidase H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-Glucose:
1.1.3.10;

The structure of Pyranose 2-Oxidase H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-Glucose, PDB code: 3pl8 was solved by T.C.Tan, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.07 / 1.35
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.550, 101.550, 127.160, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19

The binding sites of Fluorine atom in the Pyranose 2-Oxidase H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-Glucose (pdb code 3pl8). 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 H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-Glucose, PDB code: 3pl8:

Fluorine binding site 1 out of 1 in the Pyranose 2-Oxidase H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-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 H167A Complex with 3-Deoxy-3-Fluoro-Beta-D-Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:F903 b:10.9 occ:1.00 F3 A:G3F903 0.0 10.9 1.0 C3 A:G3F903 1.4 9.8 1.0 C2 A:G3F903 2.4 10.8 1.0 C4 A:G3F903 2.4 10.0 1.0 O2 A:G3F903 2.8 11.9 1.0 O4 A:G3F903 2.9 13.0 1.0 NE2 A:GLN448 3.0 8.9 1.0 ND2 A:ASN593 3.2 7.8 1.0 O4 A:FAD801 3.3 7.7 1.0 OE1 A:GLN448 3.5 10.9 1.0 CB A:THR169 3.6 8.3 1.0 CG2 A:THR169 3.6 13.7 1.0 CD A:GLN448 3.7 9.2 1.0 C1 A:G3F903 3.7 10.4 1.0 C5 A:G3F903 3.7 9.3 1.0 C4 A:FAD801 3.8 7.2 1.0 OG1 A:THR169 4.0 14.2 1.0 N5 A:FAD801 4.1 7.5 1.0 O5 A:G3F903 4.1 10.8 1.0 OD2 A:ASP452 4.2 15.4 1.0 C4X A:FAD801 4.3 6.5 1.0 CB A:ALA171 4.3 8.1 1.0 CZ A:PHE474 4.4 7.8 1.0 CG A:ASN593 4.5 7.0 1.0 N3 A:FAD801 4.7 6.9 1.0 O1 A:G3F903 4.7 11.4 1.0 CE2 A:PHE474 4.8 7.1 1.0 C6 A:G3F903 4.9 10.9 1.0 CA A:THR169 5.0 7.7 1.0

T.C.Tan, D.Haltrich, C.Divne. Regioselective Control of Beta-D-Glucose Oxidation By Pyranose 2-Oxidase Is Intimately Coupled to Conformational Degeneracy J.Mol.Biol. V. 409 588 2011.
ISSN: ISSN 0022-2836
PubMed: 21515286
DOI: 10.1016/J.JMB.2011.04.019