Chlorine in PDB 7nt2: Crystal Structure of Sars COV2 Main Protease in Complex with FSP006

All present enzymatic activity of Crystal Structure of Sars COV2 Main Protease in Complex with FSP006:
3.4.22.69;

The structure of Crystal Structure of Sars COV2 Main Protease in Complex with FSP006, PDB code: 7nt2 was solved by R.Oerlemans, D.Eris, M.Wang, M.Sharpe, A.Domling, M.R.Groves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.45 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.155, 100.588, 104.726, 90, 90, 90
R / Rfree (%)	20.2 / 25.1

The binding sites of Chlorine atom in the Crystal Structure of Sars COV2 Main Protease in Complex with FSP006 (pdb code 7nt2). 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 COV2 Main Protease in Complex with FSP006, PDB code: 7nt2:

Chlorine binding site 1 out of 1 in the Crystal Structure of Sars COV2 Main Protease in Complex with FSP006


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 COV2 Main Protease in Complex with FSP006 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:60.0 occ:1.00 O B:HOH778 2.8 41.3 1.0 O B:LYS5 3.3 53.8 1.0 N A:GLN127 3.5 29.9 1.0 O A:LYS5 3.5 33.4 1.0 CA A:TYR126 3.7 31.6 1.0 CG A:LYS5 3.9 47.4 1.0 CB A:TYR126 4.0 33.6 1.0 C A:TYR126 4.1 30.9 1.0 C A:LYS5 4.2 33.2 1.0 CB A:GLN127 4.3 33.6 1.0 CB A:LYS5 4.3 39.8 1.0 O A:VAL125 4.5 28.0 1.0 CA A:GLN127 4.5 33.2 1.0 C B:LYS5 4.5 46.3 1.0 N A:ALA7 4.8 26.8 1.0 N A:MET6 4.8 33.1 1.0 CA A:LYS5 4.8 38.9 1.0 N A:TYR126 4.9 30.5 1.0 O A:GLN127 5.0 33.8 1.0 CB A:ALA7 5.0 26.9 1.0

A.Doemling, F.Sutanto, S.Shaabani, R.Oerlemans, E.Deniz, P.Patil, M.Hadian, M.Wang, M.E.Sharpe, M.R.Groves. Marriage of High Throughput Synthesis and High Throughput Protein Crystallography. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 34097796
DOI: 10.1002/ANIE.202105584