Chlorine in PDB 7mgs: Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate

All present enzymatic activity of Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate:
3.4.22.69;

The structure of Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate, PDB code: 7mgs was solved by E.A.Macdonald, I.W.Windsor, S.M.Hinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.65 / 1.84
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	45.771, 63.312, 104.646, 90, 90, 90
R / Rfree (%)	19.3 / 22.7

The binding sites of Chlorine atom in the Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate (pdb code 7mgs). 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 Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate, PDB code: 7mgs:

Chlorine binding site 1 out of 1 in the Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 Main Protease in Complex with N-Terminal Autoprocessing Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:56.4 occ:0.50 OG A:SER284 3.7 49.6 1.0 N A:ALA285 3.7 37.6 1.0 N A:LEU286 4.3 38.2 1.0 CA A:SER284 4.4 33.5 1.0 CB A:SER284 4.5 41.4 1.0 CB A:ALA285 4.5 41.5 1.0 CA A:ALA285 4.5 41.0 1.0 C A:SER284 4.5 39.2 1.0 C A:ALA285 4.7 43.4 1.0 CB A:LEU286 4.9 41.8 1.0

E.A.Macdonald, G.Frey, M.N.Namchuk, S.M.Hinshaw, I.W.Windsor. Recognition of Divergent Viral Substrates By the Sars-Cov-2 Main Protease To Be Published.