Chlorine in PDB 7b3i: Notum Complex with ARUK3003776

All present enzymatic activity of Notum Complex with ARUK3003776:
3.1.1.98;

The structure of Notum Complex with ARUK3003776, PDB code: 7b3i 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)	46.00 / 1.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.528, 72.467, 78.109, 90, 90, 90
R / Rfree (%)	19.6 / 19.7

The binding sites of Chlorine atom in the Notum Complex with ARUK3003776 (pdb code 7b3i). 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 Complex with ARUK3003776, PDB code: 7b3i:

Chlorine binding site 1 out of 1 in the Notum Complex with ARUK3003776


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Notum Complex with ARUK3003776 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:39.9 occ:1.00 CL1 A:STK508 0.0 39.9 1.0 C02 A:STK508 1.8 26.9 1.0 C07 A:STK508 2.7 27.5 1.0 C03 A:STK508 2.7 27.3 1.0 CB A:PRO287 3.0 50.8 1.0 CG1 A:ILE291 3.1 33.5 1.0 O A:PRO287 3.5 44.1 1.0 C A:PRO287 3.5 47.9 1.0 CZ A:PHE320 3.7 21.1 1.0 CA A:PRO287 3.7 51.2 1.0 CB A:ILE291 3.9 32.0 1.0 C06 A:STK508 4.0 25.8 1.0 C04 A:STK508 4.0 25.8 1.0 N A:THR288 4.1 45.8 1.0 CE2 A:PHE320 4.1 21.1 1.0 CD1 A:ILE291 4.2 32.5 1.0 CG A:PRO287 4.3 53.4 1.0 C05 A:STK508 4.5 23.1 1.0 CE1 A:PHE320 4.5 19.9 1.0 OH A:TYR129 4.6 30.9 1.0 CA A:THR288 4.6 38.0 1.0 O1 A:EDO506 4.6 58.0 1.0 CG2 A:ILE291 4.8 31.0 1.0

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