Zinc in PDB 7llz: Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69

All present enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69:
3.4.19.12;

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69, PDB code: 7llz was solved by K.M.Ratia, R.Xiong, G.R.Thatcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.18 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.758, 146.155, 60.299, 90, 99.38, 90
R / Rfree (%)	19.6 / 24.3

The binding sites of Zinc atom in the Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69 (pdb code 7llz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69, PDB code: 7llz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:131.5 occ:1.00 SG A:CYS192 2.4 105.7 1.0 SG A:CYS226 2.4 133.9 1.0 SG A:CYS224 2.4 115.3 1.0 SG A:CYS189 2.4 97.5 1.0 CB A:CYS192 3.4 98.4 1.0 CB A:CYS224 3.4 107.4 1.0 CB A:CYS189 3.4 85.7 1.0 CB A:CYS226 3.5 125.9 1.0 O A:LYS228 4.1 100.6 1.0 N A:CYS226 4.5 118.8 1.0 CA A:CYS226 4.6 122.5 1.0 CA A:CYS192 4.6 91.3 1.0 N A:CYS192 4.7 91.3 1.0 CA A:CYS224 4.8 101.9 1.0 CA A:CYS189 4.9 75.7 1.0 OG1 A:THR191 4.9 91.4 1.0 CB A:ALA230 5.0 60.8 1.0

Zinc binding site 2 out of 2 in the Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Sars-Cov-2 Papain-Like Protease (Plpro) Bound to Inhibitor XR8-69 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:140.6 occ:1.00 SG B:CYS224 2.3 124.3 1.0 SG B:CYS189 2.4 114.8 1.0 SG B:CYS226 2.4 144.9 1.0 SG B:CYS192 2.4 109.8 1.0 CB B:CYS189 3.3 105.6 1.0 CB B:CYS226 3.4 139.3 1.0 CB B:CYS192 3.5 104.2 1.0 CB B:CYS224 3.5 116.7 1.0 N B:CYS226 4.1 128.7 1.0 N B:CYS192 4.2 95.7 1.0 CA B:CYS226 4.3 134.4 1.0 CA B:CYS192 4.5 97.1 1.0 CB B:THR191 4.6 100.9 1.0 CA B:CYS189 4.7 99.0 1.0 N B:THR225 4.8 107.0 1.0 CA B:CYS224 4.8 109.7 1.0 OG1 B:THR191 5.0 103.0 1.0

K.M.Ratia, R.Xiong, G.R.Thatcher. Potent, Novel Sars-Cov-2 Plpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures Biorxiv 2021.