Chlorine in PDB 8wzp: Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981

All present enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981:
3.4.22.69;

The structure of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981, PDB code: 8wzp was solved by H.H.Jiang, X.F.Zou, X.L.Zhou, J.Zhang, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.82 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.149, 97.96, 58.502, 90, 107.78, 90
R / Rfree (%)	19.2 / 23.6

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981 (pdb code 8wzp). 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 Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981, PDB code: 8wzp:

Chlorine binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sars-Cov-2 Main Protease M49I Mutant in Complex with CCF0058981 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:44.4 occ:1.00 CL32 B:XIU401 0.0 44.4 1.0 C30 B:XIU401 1.8 32.9 1.0 C31 B:XIU401 2.7 34.9 1.0 C29 B:XIU401 2.8 32.6 1.0 C B:ASP187 3.2 33.5 1.0 N B:ARG188 3.4 32.7 1.0 CA B:ASP187 3.5 29.9 1.0 CD1 B:ILE49 3.6 36.7 1.0 C B:ARG188 3.6 33.5 1.0 O B:ASP187 3.6 32.3 1.0 N B:GLN189 3.8 33.0 1.0 CA B:ARG188 3.8 31.9 1.0 O B:ARG188 4.0 32.6 1.0 CB B:ASP187 4.0 27.1 1.0 C26 B:XIU401 4.0 34.0 1.0 C28 B:XIU401 4.0 35.4 1.0 CG1 B:ILE49 4.1 37.6 1.0 CD2 B:HIS41 4.3 34.5 1.0 CA B:GLN189 4.3 38.1 1.0 C19 B:XIU401 4.5 35.1 1.0 O B:VAL186 4.5 30.7 1.0 C27 B:XIU401 4.5 31.9 1.0 N B:ASP187 4.8 28.5 1.0 CB B:GLN189 4.8 38.9 1.0 CB B:MET165 4.8 28.4 1.0 C18 B:XIU401 4.8 33.9 1.0 CG B:HIS41 4.9 31.3 1.0 CB B:HIS41 5.0 27.3 1.0

H.Jiang, X.Zou, X.Zhou, J.Zhang, J.Li. Crystal Structure of Sars-Cov-2 Main Protease (M Pro ) Mutants in Complex with the Non-Covalent Inhibitor CCF0058981. Biochem.Biophys.Res.Commun. V. 692 49352 2024.
ISSN: ESSN 1090-2104
PubMed: 38056159
DOI: 10.1016/J.BBRC.2023.149352