Chlorine in PDB 8hux: Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622

All present enzymatic activity of Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622:
3.4.22.69;

The structure of Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622, PDB code: 8hux was solved by W.W.Li, J.Zhang, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.43 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.897, 99.379, 59.132, 90, 108.44, 90
R / Rfree (%)	20.7 / 24.5

The structure of Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622 (pdb code 8hux). 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 Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622, PDB code: 8hux:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622


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 P132H Mutant in Complex with S217622 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:21.9 occ:1.00 CL2 A:7YY401 0.0 21.9 1.0 C22 A:7YY401 1.8 28.4 1.0 C21 A:7YY401 2.8 25.5 1.0 C13 A:7YY401 2.8 26.4 1.0 N12 A:7YY401 3.1 25.4 1.0 N10 A:7YY401 3.3 24.9 1.0 C11 A:7YY401 3.3 23.5 1.0 SG A:CYS145 3.4 17.2 1.0 CB A:CYS145 3.5 15.3 1.0 CD2 A:HIS41 3.8 23.7 1.0 C34 A:7YY401 3.9 21.1 1.0 CD2 A:LEU27 4.0 16.1 1.0 C20 A:7YY401 4.1 26.4 1.0 C14 A:7YY401 4.1 27.1 1.0 C08 A:7YY401 4.1 21.3 1.0 N24 A:7YY401 4.1 26.5 1.0 F33 A:7YY401 4.4 21.9 1.0 C32 A:7YY401 4.5 23.4 1.0 CB A:LEU27 4.6 14.4 1.0 C15 A:7YY401 4.6 27.6 1.0 CG A:HIS41 4.6 21.7 1.0 C26 A:7YY401 4.7 22.0 1.0 O09 A:7YY401 4.7 20.4 1.0 CB A:HIS41 4.7 22.0 1.0 CG A:LEU27 4.7 16.2 1.0 O A:HOH568 4.8 26.7 1.0 O A:HOH548 4.8 25.6 1.0 C25 A:7YY401 4.8 23.7 1.0 N07 A:7YY401 4.8 22.4 1.0 C35 A:7YY401 4.8 24.2 1.0 O A:THR26 4.8 18.7 1.0 NE2 A:HIS41 4.9 23.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622


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 Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:17.6 occ:1.00 CL2 B:7YY401 0.0 17.6 1.0 C22 B:7YY401 1.8 18.9 1.0 C21 B:7YY401 2.7 16.4 1.0 C13 B:7YY401 2.8 16.6 1.0 N12 B:7YY401 3.2 16.7 1.0 N10 B:7YY401 3.3 16.3 1.0 C11 B:7YY401 3.4 18.1 1.0 SG B:CYS145 3.4 14.1 1.0 CB B:CYS145 3.5 11.5 1.0 CD2 B:HIS41 3.8 18.8 1.0 CD2 B:LEU27 3.9 14.9 1.0 C34 B:7YY401 4.0 16.4 1.0 C20 B:7YY401 4.0 17.8 1.0 C08 B:7YY401 4.1 15.1 1.0 C14 B:7YY401 4.1 20.0 1.0 N24 B:7YY401 4.2 17.6 1.0 F33 B:7YY401 4.4 14.6 1.0 CB B:LEU27 4.5 14.7 1.0 C32 B:7YY401 4.5 15.4 1.0 C15 B:7YY401 4.5 20.6 1.0 CG B:HIS41 4.6 16.8 1.0 O09 B:7YY401 4.6 15.9 1.0 CG B:LEU27 4.6 16.8 1.0 CB B:HIS41 4.7 16.5 1.0 O B:HOH570 4.7 21.7 1.0 O B:THR26 4.7 17.1 1.0 C26 B:7YY401 4.8 15.7 1.0 N07 B:7YY401 4.8 17.9 1.0 NE2 B:HIS41 4.9 23.8 1.0 C35 B:7YY401 4.9 17.3 1.0 O B:HOH554 4.9 22.6 1.0 C25 B:7YY401 5.0 18.0 1.0

W.W.Li, J.Li, J.Zhang. Crystal Structure of Sars-Cov-2 Main Protease P132H Mutant in Complex with S217622 To Be Published.