Chlorine in PDB 8bti: Notum Inhibitor ARUK3004556

All present enzymatic activity of Notum Inhibitor ARUK3004556:
3.1.1.98;

The structure of Notum Inhibitor ARUK3004556, PDB code: 8bti 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)	46.02 / 1.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.7, 72.24, 77.94, 90, 90, 90
R / Rfree (%)	18.4 / 21.8

The binding sites of Chlorine atom in the Notum Inhibitor ARUK3004556 (pdb code 8bti). 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 ARUK3004556, PDB code: 8bti:

Chlorine binding site 1 out of 1 in the Notum Inhibitor ARUK3004556


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Notum Inhibitor ARUK3004556 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:26.4 occ:1.00 CL15 A:RFO510 0.0 26.4 1.0 C10 A:RFO510 1.7 23.1 1.0 C09 A:RFO510 2.6 20.8 1.0 C11 A:RFO510 2.8 24.4 1.0 C08 A:RFO510 3.2 21.7 1.0 CB A:PRO287 3.4 45.7 1.0 CE1 A:PHE320 3.6 18.7 1.0 CZ A:PHE320 3.6 20.2 1.0 CD1 A:ILE291 3.6 28.8 1.0 CB A:PHE268 3.8 17.4 1.0 CD2 A:PHE268 3.9 16.8 1.0 C14 A:RFO510 4.0 20.8 1.0 CG A:PHE268 4.0 16.6 1.0 C12 A:RFO510 4.0 22.6 1.0 CD1 A:PHE320 4.4 18.4 1.0 CE2 A:PHE320 4.5 19.8 1.0 C13 A:RFO510 4.5 21.5 1.0 C07 A:RFO510 4.6 21.3 1.0 CA A:PRO287 4.7 34.7 1.0 CE2 A:PHE268 4.8 17.6 1.0 CD1 A:PHE268 4.9 17.6 1.0 N06 A:RFO510 4.9 21.0 1.0 CG1 A:ILE291 4.9 30.2 1.0

Y.Zhao, E.Y.Jones, P.Fish. Notum Inhibitor ARUK3004556 To Be Published.