Zinc in PDB 7cjm: Sars Cov-2 Plpro in Complex with GRL0617

All present enzymatic activity of Sars Cov-2 Plpro in Complex with GRL0617:
3.4.19.12;

The structure of Sars Cov-2 Plpro in Complex with GRL0617, PDB code: 7cjm was solved by Z.Fu, H.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.30 / 3.20
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	112.294, 112.294, 220.379, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 28.6

The binding sites of Zinc atom in the Sars Cov-2 Plpro in Complex with GRL0617 (pdb code 7cjm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Sars Cov-2 Plpro in Complex with GRL0617, PDB code: 7cjm:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Sars Cov-2 Plpro in Complex with GRL0617


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 Plpro in Complex with GRL0617 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:2.1 occ:1.00 CG B:ASP62 3.5 47.1 1.0 OD1 B:ASP62 3.7 47.1 1.0 OD2 B:ASP62 3.7 47.1 1.0 CB B:ASP62 3.9 47.1 1.0 CA B:ASP62 4.6 42.0 1.0 CG2 B:VAL66 4.7 19.7 1.0 CD B:ARG65 4.8 37.4 1.0 O B:ASP62 4.9 39.8 1.0

Zinc binding site 2 out of 3 in the Sars Cov-2 Plpro in Complex with GRL0617


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 Plpro in Complex with GRL0617 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:1.7 occ:1.00 OD2 B:ASP108 2.0 11.9 1.0 ND1 B:HIS89 2.3 20.2 1.0 CG B:ASP108 2.6 12.4 1.0 OD1 B:ASP108 2.6 27.6 1.0 CE1 B:HIS89 3.0 20.4 1.0 CG B:HIS89 3.5 22.0 1.0 CB B:HIS89 3.9 25.1 1.0 CB B:ASP108 4.1 11.9 1.0 NE2 B:HIS89 4.3 16.8 1.0 CD2 B:HIS89 4.5 14.0 1.0 CG1 B:VAL159 4.6 11.4 1.0 CA B:HIS89 4.6 21.4 1.0 NE1 B:TRP93 4.7 18.0 1.0

Zinc binding site 3 out of 3 in the Sars Cov-2 Plpro in Complex with GRL0617


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Sars Cov-2 Plpro in Complex with GRL0617 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn404 b:88.8 occ:1.00 SG B:CYS224 2.3 73.8 1.0 SG B:CYS189 2.3 71.8 1.0 SG B:CYS192 2.3 68.9 1.0 CB B:CYS192 2.8 68.9 1.0 CB B:CYS189 3.2 71.8 1.0 CB B:CYS224 3.2 73.8 1.0 N B:CYS192 3.5 0.6 1.0 SG B:CYS226 3.6 82.6 1.0 CA B:CYS192 3.7 0.1 1.0 OG1 B:THR225 4.2 0.2 1.0 N B:THR225 4.3 1.0 1.0 CA B:CYS224 4.6 1.0 1.0 C B:THR191 4.6 0.0 1.0 N B:CYS226 4.6 0.1 1.0 CA B:CYS189 4.6 0.4 1.0 CB B:THR191 4.7 0.5 1.0 C B:CYS224 4.8 0.8 1.0 CB B:CYS226 4.8 82.6 1.0 N B:THR191 4.9 0.8 1.0 C B:CYS192 4.9 0.1 1.0 CA B:THR191 5.0 0.8 1.0

Z.Fu, H.Huang. Sars Cov-2 Plpro in Complex with 6-Thioguanine To Be Published.