Chlorine in PDB 8s9z: Mpro Inhibitors of Sars-Cov-2

All present enzymatic activity of Mpro Inhibitors of Sars-Cov-2:
3.4.22.69;

The structure of Mpro Inhibitors of Sars-Cov-2, PDB code: 8s9z was solved by L.R.Blankenship, W.R.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.46 / 1.60
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.267, 82.318, 86.441, 90, 96.17, 90
R / Rfree (%)	23.8 / 25.8

The binding sites of Chlorine atom in the Mpro Inhibitors of Sars-Cov-2 (pdb code 8s9z). 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 Mpro Inhibitors of Sars-Cov-2, PDB code: 8s9z:

Chlorine binding site 1 out of 1 in the Mpro Inhibitors of Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mpro Inhibitors of Sars-Cov-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4 b:50.7 occ:1.00 CL1 B:ZV74 0.0 50.7 1.0 C30 B:ZV74 1.8 26.4 1.0 C29 B:ZV74 2.7 25.1 1.0 SG A:CYS145 2.9 26.0 1.0 O7 B:ZV74 3.1 25.3 1.0 O B:PHE3 3.6 24.5 1.0 N4 B:ZV74 3.7 23.6 1.0 OD1 A:ASN142 3.9 32.6 1.0 C B:PHE3 4.0 25.3 1.0 N A:GLY143 4.0 19.0 1.0 N2 B:ZV74 4.0 22.9 1.0 CA A:GLY143 4.5 21.6 1.0 CB A:CYS145 4.5 19.8 1.0 O B:HOH101 4.5 27.9 1.0 NE2 A:HIS41 4.6 21.8 1.0 CB B:PHE3 4.7 25.6 1.0 CG A:ASN142 4.8 33.4 1.0 C26 B:ZV74 4.9 21.4 1.0

L.R.Blankenship, W.R.Liu. Structure of MPI89 with Mpro of Sars-Cov-2 at 1.85A Resolution. To Be Published.