Fluorine in PDB 6qlx: Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor

All present enzymatic activity of Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor:
3.4.22.38;

The structure of Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor, PDB code: 6qlx was solved by D.J.Derbyshire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.20 / 2.10
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	71.204, 71.204, 54.541, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.7

The binding sites of Fluorine atom in the Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor (pdb code 6qlx). 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 Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor, PDB code: 6qlx:

Fluorine binding site 1 out of 1 in the Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cathepsin-K in Complex with Fluoro-Oxa-Azabicyclo[3.3.0]Octanyl Containing Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:17.3 occ:0.95 F1 A:HKH301 0.0 17.3 0.9 C2 A:HKH301 1.4 16.7 0.9 C9 A:HKH301 2.3 16.2 0.9 C3 A:HKH301 2.4 16.5 0.9 N10 A:HKH301 2.8 16.1 0.9 C5 A:HKH301 3.0 16.1 0.9 O A:HOH504 3.1 44.5 1.0 O21 A:HKH301 3.4 17.3 0.9 O A:HOH609 3.5 38.9 1.0 O4 A:HKH301 3.6 16.1 0.9 C11 A:HKH301 3.7 15.9 0.9 O A:GLY64 3.9 18.4 1.0 O A:HOH630 4.2 61.4 1.0 O12 A:HKH301 4.4 15.5 0.9 C6 A:HKH301 4.4 15.9 0.9 C20 A:HKH301 4.4 17.4 0.9 O A:HOH666 4.4 38.9 1.0 C13 A:HKH301 4.5 16.0 0.9 C A:GLY64 4.5 18.6 1.0 CA A:GLY65 4.6 17.4 1.0 C8 A:HKH301 4.6 15.8 0.9 N A:GLY65 4.9 17.9 1.0 N19 A:HKH301 4.9 16.6 0.9

D.J.Derbyshire, D.J.Derbyshire. N/A N/A.