Chlorine in PDB 8bsr: Notum Inhibitor ARUK3006562

All present enzymatic activity of Notum Inhibitor ARUK3006562:
3.1.1.98;

The structure of Notum Inhibitor ARUK3006562, PDB code: 8bsr 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)	46.07 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.065, 71.808, 78.436, 90, 90, 90
R / Rfree (%)	19.9 / 20.6

The structure of Notum Inhibitor ARUK3006562 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Notum Inhibitor ARUK3006562 (pdb code 8bsr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Notum Inhibitor ARUK3006562, PDB code: 8bsr:

Chlorine binding site 1 out of 1 in the Notum Inhibitor ARUK3006562


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Notum Inhibitor ARUK3006562 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1605 b:43.0 occ:1.00 CL23 A:RCU1605 0.0 43.0 1.0 C17 A:RCU1605 1.8 37.8 1.0 F20 A:RCU1605 2.3 40.8 1.0 C18 A:RCU1605 2.7 37.4 1.0 C16 A:RCU1605 2.8 34.8 1.0 C19 A:RCU1605 3.0 39.2 1.0 CB A:PRO287 3.3 38.5 1.0 CG A:PRO287 3.4 41.0 1.0 F21 A:RCU1605 3.6 47.9 1.0 CB A:PHE268 3.6 17.4 1.0 CG A:PHE268 3.8 21.3 1.0 CE1 A:PHE320 4.0 19.8 1.0 CD2 A:PHE268 4.1 21.4 1.0 C13 A:RCU1605 4.1 35.7 1.0 C15 A:RCU1605 4.1 35.8 1.0 F22 A:RCU1605 4.1 41.0 1.0 CZ A:PHE320 4.2 20.4 1.0 CD1 A:PHE268 4.4 26.1 1.0 C14 A:RCU1605 4.6 38.1 1.0 CG2 A:VAL346 4.6 28.1 1.0 CD A:PRO287 4.8 43.5 1.0 CA A:PRO287 4.8 41.5 1.0 CE2 A:PHE268 4.9 23.7 1.0 CD1 A:PHE320 4.9 20.2 1.0

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