Fluorine in PDB 8bt5: Notum Inhibitor ARUK3004877

All present enzymatic activity of Notum Inhibitor ARUK3004877:
3.1.1.98;

The structure of Notum Inhibitor ARUK3004877, PDB code: 8bt5 was solved by Y.Zhao, E.Y.Jones, P.Fish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.80 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.993, 71.649, 78.112, 90, 90, 90
R / Rfree (%)	17.1 / 20.4

The binding sites of Fluorine atom in the Notum Inhibitor ARUK3004877 (pdb code 8bt5). 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 Notum Inhibitor ARUK3004877, PDB code: 8bt5:

Fluorine binding site 1 out of 1 in the Notum Inhibitor ARUK3004877


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Notum Inhibitor ARUK3004877 within 5.0Å range: probe atom residue distance (Å) B Occ A:F510 b:57.6 occ:1.00 F16 A:REH510 0.0 57.6 1.0 C11 A:REH510 1.3 56.6 1.0 C10 A:REH510 2.3 56.1 1.0 C12 A:REH510 2.4 56.5 1.0 CG1 A:VAL187 2.8 17.2 1.0 C06 A:REH510 2.9 56.0 1.0 CG2 A:VAL187 3.0 15.6 1.0 C09 A:REH510 3.1 55.6 1.0 C07 A:REH510 3.3 56.1 1.0 C15 A:REH510 3.5 56.5 1.0 CB A:VAL187 3.5 15.0 1.0 C13 A:REH510 3.7 56.5 1.0 C08 A:REH510 4.0 55.5 1.0 OG1 A:THR236 4.0 14.9 1.0 C14 A:REH510 4.1 56.6 1.0 CD2 A:TYR129 4.1 20.9 1.0 CB A:THR236 4.2 14.3 1.0 CA A:ALA233 4.2 14.3 1.0 CE2 A:TYR129 4.3 22.5 1.0 C05 A:REH510 4.3 56.1 1.0 CB A:ALA233 4.3 14.7 1.0 CG2 A:THR236 4.4 15.5 1.0 N04 A:REH510 4.5 56.6 1.0 CA A:VAL187 4.6 13.8 1.0 CD1 A:ILE291 4.7 28.0 1.0 CD1 A:PHE319 4.9 17.1 1.0 O A:ALA233 4.9 14.7 1.0

Y.Zhao, E.Y.Jones, P.Fish. Notum Inhibitor ARUK3004877 To Be Published.