Zinc in PDB 7jrn: Crystal Structure of the Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617

The structure of Crystal Structure of the Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617, PDB code: 7jrn was solved by M.Sacco, C.Ma, J.Wang, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.64 / 2.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.733, 144.872, 60.145, 90.00, 99.26, 90.00
R / Rfree (%)	24.5 / 28.7

The binding sites of Zinc atom in the Crystal Structure of the Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617 (pdb code 7jrn). 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 Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617, PDB code: 7jrn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617


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 Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:59.7 occ:1.00 SG A:CYS189 2.2 52.6 1.0 SG A:CYS224 2.4 53.4 1.0 CB A:CYS226 2.7 68.7 1.0 SG A:CYS192 2.7 37.0 1.0 CB A:CYS189 3.0 47.4 1.0 CB A:CYS224 3.1 55.1 1.0 CB A:CYS192 3.5 44.2 1.0 SG A:CYS226 3.7 80.3 1.0 CA A:CYS226 3.9 66.2 1.0 N A:CYS226 3.9 62.7 1.0 N A:CYS192 4.2 51.9 1.0 CA A:CYS192 4.5 47.5 1.0 CA A:CYS189 4.5 46.8 1.0 CA A:CYS224 4.5 56.3 1.0 C A:CYS224 4.8 55.9 1.0 O A:LYS228 4.8 61.7 1.0 CB A:LYS228 4.8 69.7 1.0 CB A:THR191 4.9 63.7 1.0 N A:THR225 4.9 58.7 1.0 C A:CYS226 5.0 65.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617


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 Wild Type Sars-Cov-2 Papain-Like Protease (Plpro) with Inhibitor GRL0617 within 5.0Å range: probe atom residue distance (Å) B Occ J:Zn402 b:84.5 occ:1.00 OG1 J:THR191 2.2 69.8 1.0 SG J:CYS226 2.3 0.9 1.0 SG J:CYS224 3.1 90.9 1.0 SG J:CYS189 3.2 69.9 1.0 CB J:CYS226 3.3 0.8 1.0 CB J:THR191 3.4 78.9 1.0 SG J:CYS192 3.5 0.8 1.0 CB J:CYS189 3.7 61.6 1.0 N J:CYS226 3.7 99.1 1.0 CG2 J:THR191 3.7 77.7 1.0 CA J:CYS226 4.0 0.8 1.0 O J:CYS226 4.0 96.4 1.0 CB J:CYS224 4.1 92.4 1.0 N J:CYS192 4.3 84.0 1.0 C J:CYS226 4.4 0.2 1.0 OG1 J:THR225 4.5 98.0 1.0 N J:THR225 4.5 98.2 1.0 CB J:CYS192 4.6 89.7 1.0 CA J:THR191 4.6 80.6 1.0 C J:THR225 4.7 94.6 1.0 O J:LYS228 4.8 71.9 1.0 N J:THR191 4.9 81.0 1.0 C J:THR191 5.0 84.4 1.0

M.Sacco, M.Sacco, C.Ma, J.Wang, Y.Chen. N/A N/A.