Chlorine in PDB 8jco: The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65

All present enzymatic activity of The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65:
3.4.22.69;

The structure of The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65, PDB code: 8jco was solved by Y.Zhao, Y.Zhu, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.01 / 1.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.346, 81.833, 51.669, 90, 114.52, 90
R / Rfree (%)	16.3 / 19.3

The binding sites of Chlorine atom in the The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65 (pdb code 8jco). 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 The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65, PDB code: 8jco:

Chlorine binding site 1 out of 1 in the The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:40.9 occ:1.00 CL21 A:B7Y401 0.0 40.9 1.0 C20 A:B7Y401 1.8 41.6 1.0 C19 A:B7Y401 2.8 32.7 1.0 NE2 A:HIS163 3.1 26.4 1.0 O A:HOH662 3.5 56.0 1.0 OG A:SER144 3.6 28.7 1.0 CB A:PHE140 3.7 29.5 1.0 CB A:GLU166 3.9 29.2 1.0 CD2 A:HIS163 4.0 23.9 1.0 O A:LEU141 4.0 29.2 1.0 CE1 A:HIS163 4.1 22.9 1.0 C18 A:B7Y401 4.2 29.9 1.0 OE2 A:GLU166 4.3 37.4 1.0 N A:GLU166 4.4 26.1 1.0 CD2 A:HIS172 4.4 26.3 1.0 C A:PHE140 4.4 32.3 1.0 O A:PHE140 4.4 36.2 1.0 C A:LEU141 4.5 29.7 1.0 C A:MET165 4.5 24.9 1.0 CA A:GLU166 4.7 26.0 1.0 CG A:PHE140 4.7 28.8 1.0 NE2 A:HIS172 4.7 25.3 1.0 CA A:PHE140 4.7 31.8 1.0 N A:LEU141 4.8 26.9 1.0 O A:HOH794 4.8 53.2 1.0 O A:MET165 4.9 25.7 1.0 CA A:MET165 4.9 26.2 1.0 O A:HOH649 5.0 33.2 1.0 CD A:GLU166 5.0 36.5 1.0 CB A:SER144 5.0 26.6 1.0 CG A:GLU166 5.0 35.3 1.0

Y.Zhao, Y.Zhu, Z.Rao. The Crystal Structure of Sars-Cov-2 Main Protease in Complex with Compound 65 To Be Published.