Fluorine in PDB 6ql8: Cathepsin-K in Complex with Miv-711

All present enzymatic activity of Cathepsin-K in Complex with Miv-711:
3.4.22.38;

The structure of Cathepsin-K in Complex with Miv-711, PDB code: 6ql8 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)	70.91 / 1.80
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	70.910, 70.910, 54.270, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.1

The binding sites of Fluorine atom in the Cathepsin-K in Complex with Miv-711 (pdb code 6ql8). 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 Miv-711, PDB code: 6ql8:

Fluorine binding site 1 out of 1 in the Cathepsin-K in Complex with Miv-711


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 Miv-711 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:16.6 occ:1.00 F33 A:J5N301 0.0 16.6 1.0 C29 A:J5N301 1.4 12.8 1.0 C28 A:J5N301 2.5 12.7 1.0 S30 A:J5N301 2.7 15.2 1.0 O A:HOH488 2.9 24.5 1.0 C24 A:J5N301 3.0 11.3 1.0 ND2 A:ASN70 3.1 12.0 1.0 C25 A:J5N301 3.2 11.2 1.0 CD2 A:TYR67 3.3 13.3 1.0 OD1 A:ASN60 3.6 10.5 1.0 CE2 A:TYR67 3.6 14.4 1.0 N32 A:J5N301 3.7 12.3 1.0 C31 A:J5N301 3.8 14.2 1.0 O A:GLU59 4.2 17.2 1.0 C23 A:J5N301 4.3 10.5 1.0 CG A:TYR67 4.4 11.5 1.0 CG A:ASN70 4.4 13.7 1.0 OE2 A:GLU59 4.5 28.7 1.0 CA A:ASN60 4.5 12.5 1.0 C26 A:J5N301 4.6 11.8 1.0 C A:GLU59 4.6 15.8 1.0 CG A:ASN60 4.7 10.8 1.0 N A:TYR67 4.8 11.2 1.0 O A:HOH420 4.8 18.5 1.0 N A:ASN60 4.9 13.2 1.0 CB A:TYR67 4.9 11.2 1.0 CZ A:TYR67 4.9 13.6 1.0 CG A:GLU59 4.9 26.6 1.0 CD A:GLU59 5.0 30.2 1.0

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