Chlorine in PDB 7c7p: Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir:
3.4.22.69;

The structure of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir, PDB code: 7c7p was solved by R.Zeng, J.X.Qiao, Y.F.Wang, Y.S.Li, R.Yao, S.Y.Yang, J.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.907, 98.731, 103.487, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21.6

The binding sites of Chlorine atom in the Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir (pdb code 7c7p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir, PDB code: 7c7p:
Jump to Chlorine binding site number: 1; 2;

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


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 the Sars-Cov-2 Main Protease in Complex with Telaprevir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:21.8 occ:1.00 O A:HOH738 3.1 32.4 1.0 N A:GLN107 3.3 20.1 1.0 NE2 A:GLN110 3.3 21.4 1.0 CA A:ILE106 3.7 20.0 1.0 CG A:GLN110 3.8 19.7 1.0 CB A:ILE106 3.8 19.6 1.0 CB A:GLN110 3.9 19.1 1.0 CB A:GLN107 3.9 25.1 1.0 C A:ILE106 4.0 19.6 1.0 CD A:GLN110 4.1 20.4 1.0 CA A:GLN107 4.2 21.8 1.0 CG2 A:ILE106 4.2 19.8 1.0 CG A:GLN107 4.2 27.2 1.0 O A:GLN107 4.5 20.8 1.0 O A:HOH543 4.6 48.3 1.0 C A:GLN107 4.8 22.4 1.0 O A:ARG105 4.9 23.9 1.0 N A:ILE106 5.0 19.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:41.8 occ:1.00 N B:LYS5 3.2 23.5 1.0 NH2 B:ARG4 3.4 33.0 1.0 CD B:ARG4 3.4 29.1 1.0 O B:HOH556 3.7 32.4 1.0 CB B:LYS5 3.8 30.6 1.0 CD A:LYS5 4.0 46.8 1.0 CA B:ARG4 4.0 21.1 1.0 CA B:LYS5 4.0 23.9 1.0 C B:ARG4 4.1 19.6 1.0 CB B:ARG4 4.2 20.8 1.0 CZ B:ARG4 4.3 30.8 1.0 NE B:ARG4 4.3 30.0 1.0 O B:LYS5 4.4 27.6 1.0 CG A:LYS5 4.5 43.3 1.0 CG B:ARG4 4.5 25.4 1.0 O B:HOH610 4.6 45.4 1.0 C B:LYS5 4.7 26.2 1.0 CB A:LYS5 4.7 37.2 1.0 O A:GLN127 4.8 25.0 1.0

J.X.Qiao, R.Zeng, Y.F.Wang, Y.S.Li, R.Yao, Y.L.Zhou, P.Chen, J.Lei, S.Y.Yang. Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Telaprevir To Be Published.