Chlorine in PDB 7t48: Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C

All present enzymatic activity of Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C:
3.4.22.69;

The structure of Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C, PDB code: 7t48 was solved by S.Lovell, L.Liu, K.P.Battaile, S.D.Chamandi, Y.Kim, W.C.Groutas, K.O.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.60 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.661, 52.591, 46.31, 90, 102.94, 90
R / Rfree (%)	18.2 / 24.2

The binding sites of Chlorine atom in the Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C (pdb code 7t48). 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 Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C, PDB code: 7t48:

Chlorine binding site 1 out of 1 in the Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:39.9 occ:0.50 NH2 A:ARG222 3.6 25.1 1.0 NE A:ARG222 3.7 29.1 1.0 CZ A:ARG222 4.2 27.6 1.0 CD A:ARG222 4.8 28.1 1.0

S.D.Chamandi, A.D.Rathnayake, A.C.G.Kankanamalage, Y.Kim, K.D.Perera, H.N.Nguyen, H.A.Thurman, M.J.Miller, T.Madden, M.M.Kashipathy, L.Liu, K.P.Battaile, S.Lovell, K.O.Chang, W.C.Groutas. Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 9C To Be Published.