Fluorine in PDB 3k4l: Pyranose 2-Oxidase F454N Mutant in Complex with 2FG

All present enzymatic activity of Pyranose 2-Oxidase F454N Mutant in Complex with 2FG:
1.1.3.10;

The structure of Pyranose 2-Oxidase F454N Mutant in Complex with 2FG, PDB code: 3k4l was solved by C.Divne, T.C.Tan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.75
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.572, 101.572, 250.052, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.9

The binding sites of Fluorine atom in the Pyranose 2-Oxidase F454N Mutant in Complex with 2FG (pdb code 3k4l). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pyranose 2-Oxidase F454N Mutant in Complex with 2FG, PDB code: 3k4l:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Pyranose 2-Oxidase F454N Mutant in Complex with 2FG


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 F454N Mutant in Complex with 2FG within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:29.8 occ:1.00 F2 A:SHG901 0.0 29.8 1.0 C2 A:SHG901 1.4 30.9 1.0 C3 A:SHG901 2.4 29.6 1.0 C1 A:SHG901 2.5 31.4 1.0 O3 A:SHG901 2.8 32.5 1.0 O4 A:FAD801 2.8 15.3 1.0 O1 A:SHG901 2.9 32.1 1.0 NE2 A:GLN448 3.0 12.0 1.0 ND2 A:ASN593 3.2 9.9 1.0 CB A:THR169 3.3 12.4 1.0 OE1 A:GLN448 3.5 15.3 1.0 CG2 A:THR169 3.5 14.6 1.0 C4 A:FAD801 3.6 13.2 1.0 CD A:GLN448 3.7 10.8 1.0 O5 A:SHG901 3.7 33.4 1.0 OG1 A:THR169 3.8 19.1 1.0 N5 A:FAD801 3.8 12.6 1.0 C4 A:SHG901 3.8 31.2 1.0 CB A:ALA171 4.0 9.1 1.0 C4X A:FAD801 4.1 12.0 1.0 C5 A:SHG901 4.3 31.2 1.0 CG A:ASN593 4.4 13.1 1.0 N3 A:FAD801 4.6 11.2 1.0 CZ A:PHE474 4.6 9.3 1.0 CA A:THR169 4.7 12.1 1.0 OD2 A:ASP452 4.7 33.7 1.0 O4 A:SHG901 4.8 31.8 1.0 C5X A:FAD801 4.9 11.0 1.0 N A:ALA171 4.9 9.8 1.0

Fluorine binding site 2 out of 2 in the Pyranose 2-Oxidase F454N Mutant in Complex with 2FG


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 F454N Mutant in Complex with 2FG within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:28.1 occ:1.00 F2 B:SHG901 0.0 28.1 1.0 C2 B:SHG901 1.4 30.4 1.0 C1 B:SHG901 2.4 33.2 1.0 C3 B:SHG901 2.5 29.3 1.0 O3 B:SHG901 2.8 27.4 1.0 O1 B:SHG901 2.8 30.1 1.0 O4 B:FAD801 2.9 12.1 1.0 NE2 B:GLN448 3.0 12.8 1.0 ND2 B:ASN593 3.3 15.7 1.0 CB B:THR169 3.3 13.4 1.0 CG2 B:THR169 3.4 15.6 1.0 OE1 B:GLN448 3.6 12.9 1.0 C4 B:FAD801 3.6 11.5 1.0 O5 B:SHG901 3.7 34.9 1.0 OG1 B:THR169 3.7 16.8 1.0 CD B:GLN448 3.7 14.1 1.0 N5 B:FAD801 3.8 14.5 1.0 C4 B:SHG901 3.9 32.8 1.0 C4X B:FAD801 4.1 9.6 1.0 CB B:ALA171 4.1 10.9 1.0 C5 B:SHG901 4.2 35.1 1.0 OD2 B:ASP452 4.4 36.6 1.0 CG B:ASN593 4.6 12.1 1.0 N3 B:FAD801 4.6 14.2 1.0 CZ B:PHE474 4.7 11.6 1.0 CA B:THR169 4.7 12.6 1.0 O4 B:SHG901 4.8 33.1 1.0 C5X B:FAD801 4.9 11.2 1.0 N B:ALA171 5.0 11.1 1.0 CE1 B:HIS450 5.0 14.3 1.0

O.Spadiut, T.C.Tan, I.Pisanelli, D.Haltrich, C.Divne. Importance of the Gating Segment in the Substrate-Recognition Loop of Pyranose 2-Oxidase. Febs J. V. 277 2892 2010.
ISSN: ISSN 1742-464X
PubMed: 20528921
DOI: 10.1111/J.1742-4658.2010.07705.X