Zinc in PDB 7e35: Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43:
3.4.19.121;

The structure of Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43, PDB code: 7e35 was solved by J.Liu, Y.Wang, X.Xu, L.Pan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.45 / 2.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.82, 99.82, 298.324, 90, 90, 120
R / Rfree (%)	28.1 / 31.7

The binding sites of Zinc atom in the Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43 (pdb code 7e35). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43, PDB code: 7e35:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:127.5 occ:1.00 SG B:CYS193 2.6 122.1 1.0 SG B:CYS225 2.7 118.2 1.0 SG B:CYS190 2.7 134.0 1.0 SG B:CYS227 2.8 175.8 1.0 CB B:CYS227 3.1 168.0 1.0 CB B:CYS225 3.5 100.2 1.0 N B:CYS227 3.6 167.1 1.0 CB B:CYS190 3.7 131.8 1.0 CB B:CYS193 3.8 118.8 1.0 CA B:CYS227 4.0 166.4 1.0 OG1 B:THR226 4.4 90.4 1.0 N B:THR226 4.5 114.6 1.0 C B:CYS225 4.6 109.8 1.0 N B:CYS193 4.6 120.2 1.0 CA B:CYS225 4.7 98.2 1.0 C B:THR226 4.7 129.1 1.0 CA B:CYS193 4.9 114.4 1.0 CB B:THR192 5.0 110.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant Bound to Compound S43 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:191.9 occ:1.00 SG A:CYS225 2.4 137.0 1.0 SG A:CYS193 2.5 137.4 1.0 SG A:CYS190 2.6 169.8 1.0 SG A:CYS227 2.7 169.0 1.0 CB A:CYS227 3.2 172.0 1.0 CB A:CYS225 3.6 148.8 1.0 CB A:CYS190 3.7 160.7 1.0 CB A:CYS193 3.7 143.2 1.0 N A:CYS227 4.0 168.1 1.0 CB A:THR192 4.0 141.5 1.0 N A:CYS193 4.1 146.2 1.0 CA A:CYS227 4.2 171.7 1.0 CG2 A:THR192 4.4 137.8 1.0 CA A:CYS193 4.5 142.3 1.0 C A:THR192 4.8 143.3 1.0 CA A:THR192 4.8 146.5 1.0 OG1 A:THR192 4.9 134.0 1.0 CA A:CYS225 4.9 152.3 1.0 N A:THR226 4.9 153.2 1.0 OG1 A:THR226 4.9 119.3 1.0 N A:THR192 5.0 153.8 1.0

J.Liu, Y.Wang, L.Pan. Crystal Structure of the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant To Be Published.