Chlorine in PDB 8gzb: Sars-Cov-2 3CLPRO

All present enzymatic activity of Sars-Cov-2 3CLPRO:
3.4.22.69;

The structure of Sars-Cov-2 3CLPRO, PDB code: 8gzb was solved by F.Wang, Y.X.Cen, P.Tian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.49 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.11, 54.07, 44.49, 90, 102.16, 90
R / Rfree (%)	20.8 / 25.6

The binding sites of Chlorine atom in the Sars-Cov-2 3CLPRO (pdb code 8gzb). 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 3CLPRO, PDB code: 8gzb:

Chlorine binding site 1 out of 1 in the Sars-Cov-2 3CLPRO


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 3CLPRO within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:81.6 occ:1.00 CL1 A:KM6402 0.0 81.6 1.0 C2 A:KM6402 1.8 59.2 1.0 C3 A:KM6402 2.7 48.6 1.0 C7 A:KM6402 2.8 59.5 1.0 N A:GLN189 3.0 67.3 1.0 C A:ARG188 3.1 61.3 1.0 CG A:GLN189 3.4 57.6 1.0 O A:ARG188 3.4 49.5 1.0 CA A:GLN189 3.4 67.3 1.0 CA A:ARG188 3.7 55.6 1.0 CB A:GLN189 3.7 59.9 1.0 NE2 A:GLN189 3.8 68.8 1.0 N A:ARG188 3.9 44.0 1.0 CD A:GLN189 3.9 66.6 1.0 C4 A:KM6402 4.0 47.9 1.0 C6 A:KM6402 4.1 51.8 1.0 C A:ASP187 4.3 43.8 1.0 O A:HOH515 4.4 40.2 1.0 O A:MET49 4.4 65.5 1.0 C5 A:KM6402 4.6 54.6 1.0 O A:ASP187 4.6 45.9 1.0 SD A:MET165 4.7 56.7 1.0 SD A:MET49 4.7 85.7 1.0 OE1 A:GLN189 4.8 56.2 1.0 C A:GLN189 4.9 61.7 1.0

X.Liu, B.Zhang. The Crystal Structure of Covid-19 Main Protease in Complex with An Inhibitor N3 To Be Published.