Zinc in PDB 6xa9: Sars Cov-2 Plpro in Complex with ISG15 C-Terminal Domain Propargylamide

All present enzymatic activity of Sars Cov-2 Plpro in Complex with ISG15 C-Terminal Domain Propargylamide:
3.4.19.12;

The structure of Sars Cov-2 Plpro in Complex with ISG15 C-Terminal Domain Propargylamide, PDB code: 6xa9 was solved by T.Klemm, D.J.Calleja, L.W.Richardson, B.C.Lechtenberg, D.Komander, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.28 / 2.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	124.172, 124.172, 238.169, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 23.1

The binding sites of Zinc atom in the Sars Cov-2 Plpro in Complex with ISG15 C-Terminal Domain Propargylamide (pdb code 6xa9). 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 ISG15 C-Terminal Domain Propargylamide, PDB code: 6xa9:
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 ISG15 C-Terminal Domain Propargylamide


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 ISG15 C-Terminal Domain Propargylamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:0.1 occ:1.00 SG A:CYS189 2.3 0.9 1.0 SG A:CYS226 2.3 0.6 1.0 SG A:CYS192 2.5 0.9 1.0 SG A:CYS224 2.7 0.7 1.0 CB A:CYS224 3.2 0.6 1.0 CB A:CYS189 3.4 0.7 1.0 CB A:CYS226 3.5 0.1 1.0 CB A:CYS192 3.5 0.1 1.0 N A:CYS192 4.0 0.9 1.0 CB A:THR191 4.2 0.8 1.0 N A:CYS226 4.2 0.7 1.0 CA A:CYS192 4.3 0.2 1.0 CA A:CYS226 4.4 0.6 1.0 CB A:LYS228 4.5 0.1 1.0 CA A:CYS224 4.6 0.8 1.0 CA A:CYS189 4.8 0.1 1.0 C A:THR191 4.8 0.7 1.0 CA A:THR191 4.9 0.9 1.0 N A:LYS228 4.9 0.7 1.0 N A:THR225 4.9 0.6 1.0 C A:CYS224 5.0 0.8 1.0 N A:THR191 5.0 0.0 1.0

Zinc binding site 2 out of 3 in the Sars Cov-2 Plpro in Complex with ISG15 C-Terminal Domain Propargylamide


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 ISG15 C-Terminal Domain Propargylamide within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn404 b:1.0 occ:1.00 SG C:CYS192 2.3 0.4 1.0 SG C:CYS226 2.4 1.0 1.0 SG C:CYS224 2.5 0.4 1.0 SG C:CYS189 2.6 0.5 1.0 CB C:CYS224 3.1 0.7 1.0 CB C:CYS189 3.3 0.8 1.0 CB C:CYS192 3.4 0.1 1.0 CB C:CYS226 3.5 0.9 1.0 N C:CYS226 4.2 0.7 1.0 N C:CYS192 4.2 0.4 1.0 CA C:CYS226 4.4 0.9 1.0 CA C:CYS192 4.4 0.3 1.0 CA C:CYS224 4.6 0.3 1.0 CB C:LYS228 4.6 0.5 1.0 CB C:THR191 4.6 0.2 1.0 CA C:CYS189 4.8 0.1 1.0 N C:THR225 4.8 0.3 1.0 C C:CYS224 4.9 0.4 1.0

Zinc binding site 3 out of 3 in the Sars Cov-2 Plpro in Complex with ISG15 C-Terminal Domain Propargylamide


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 ISG15 C-Terminal Domain Propargylamide within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn501 b:0.4 occ:1.00 SG E:CYS189 2.3 0.3 1.0 SG E:CYS224 2.5 0.0 1.0 SG E:CYS226 2.5 1.0 1.0 SG E:CYS192 2.6 0.5 1.0 CB E:CYS224 2.9 0.2 1.0 CB E:CYS189 3.2 0.6 1.0 CB E:CYS226 3.5 0.8 1.0 CB E:CYS192 3.6 0.2 1.0 N E:CYS226 4.0 0.5 1.0 N E:CYS192 4.1 0.0 1.0 CA E:CYS224 4.3 0.8 1.0 CA E:CYS226 4.4 0.9 1.0 CB E:THR191 4.4 0.8 1.0 CA E:CYS192 4.5 0.1 1.0 CB E:LYS228 4.6 0.4 1.0 CA E:CYS189 4.6 0.8 1.0 N E:THR225 4.6 0.2 1.0 C E:CYS224 4.7 0.6 1.0 N E:LYS228 4.9 0.3 1.0

T.Klemm, T.Klemm, D.J.Calleja, L.W.Richardson, B.C.Lechtenberg, D.Komander. N/A N/A.