Zinc in PDB 8rv5: Sars-Cov-2 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1

All present enzymatic activity of Sars-Cov-2 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1:
2.1.1.57;

The structure of Sars-Cov-2 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1, PDB code: 8rv5 was solved by G.Kalnins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.12 / 2.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.813, 167.813, 51.683, 90, 90, 120
R / Rfree (%)	18.7 / 21.4

The binding sites of Zinc atom in the Sars-Cov-2 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1 (pdb code 8rv5). 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 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1, PDB code: 8rv5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Sars-Cov-2 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1


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 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:40.0 occ:1.00 NE2 B:HIS83 2.2 45.7 1.0 SG B:CYS74 2.2 37.5 1.0 SG B:CYS90 2.2 40.2 1.0 SG B:CYS77 2.3 36.0 1.0 CB B:CYS74 3.1 36.9 1.0 CD2 B:HIS83 3.1 43.1 1.0 CE1 B:HIS83 3.2 43.2 1.0 CB B:CYS90 3.2 47.5 1.0 CB B:CYS77 3.4 34.7 1.0 N B:CYS77 3.5 38.2 1.0 CA B:CYS77 4.0 36.4 1.0 CG B:HIS83 4.2 56.5 1.0 ND1 B:HIS83 4.3 48.2 1.0 O B:HOH344 4.4 51.7 1.0 CA B:CYS90 4.4 52.3 1.0 CA B:CYS74 4.5 37.9 1.0 C B:TYR76 4.5 45.6 1.0 CB B:TYR76 4.5 42.1 1.0 C B:CYS74 4.9 36.5 1.0 CB B:LYS93 4.9 40.4 1.0 CA B:TYR76 4.9 39.7 1.0 N B:TYR76 4.9 33.7 1.0 O B:CYS74 5.0 33.9 1.0

Zinc binding site 2 out of 2 in the Sars-Cov-2 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1


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 NSP16-NSP10 in Complex with Sam Derivative Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:62.1 occ:1.00 SG B:CYS128 2.2 55.8 1.0 SG B:CYS117 2.4 64.6 1.0 SG B:CYS120 2.4 61.6 1.0 SG B:CYS130 2.6 75.8 1.0 CB B:CYS120 3.1 50.6 1.0 CB B:CYS117 3.1 59.4 1.0 CB B:CYS130 3.2 77.3 1.0 CB B:CYS128 3.6 63.4 1.0 N B:CYS120 3.7 63.4 1.0 O B:HOH309 3.9 61.2 1.0 CA B:CYS120 4.0 63.9 1.0 N B:CYS130 4.0 80.2 1.0 CA B:CYS128 4.2 64.2 1.0 CA B:CYS130 4.2 84.6 1.0 NZ B:LYS124 4.5 70.0 1.0 N B:SER129 4.5 70.6 1.0 CA B:CYS117 4.6 61.5 1.0 C B:CYS128 4.7 64.8 1.0 C B:VAL119 4.8 57.7 1.0 C B:CYS120 4.9 62.4 1.0 CB B:VAL119 4.9 66.3 1.0

G.Kalnins, G.Kalnins. N/A N/A.