Zinc in PDB 8a23: Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383

All present enzymatic activity of Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383:
2.1.1.57;

The structure of Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383, PDB code: 8a23 was solved by M.Hanigovsky, P.Krafcikova, M.Klima, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.78 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.142, 85.142, 162.874, 90, 90, 90
R / Rfree (%)	23.3 / 25.6

The binding sites of Zinc atom in the Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383 (pdb code 8a23). 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 Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383, PDB code: 8a23:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383


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 Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:88.0 occ:1.00 NE2 B:HIS83 2.1 99.4 1.0 SG B:CYS77 2.3 80.2 1.0 SG B:CYS90 2.3 84.5 1.0 SG B:CYS74 2.3 73.6 1.0 CD2 B:HIS83 2.9 97.7 1.0 CB B:CYS90 3.1 85.9 1.0 CE1 B:HIS83 3.2 99.5 1.0 CB B:CYS74 3.2 72.4 1.0 CB B:CYS77 3.5 75.3 1.0 N B:CYS77 3.8 85.3 1.0 CG B:HIS83 4.1 105.9 1.0 CA B:CYS77 4.1 79.2 1.0 ND1 B:HIS83 4.2 109.7 1.0 CA B:CYS90 4.3 95.5 1.0 CA B:CYS74 4.6 74.6 1.0 C B:TYR76 4.7 86.7 1.0 CB B:TYR76 4.7 92.8 1.0 CB B:LYS93 4.9 69.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383


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 Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:119.8 occ:1.00 SG B:CYS117 2.3 100.3 1.0 SG B:CYS120 2.3 92.5 1.0 SG B:CYS128 2.3 100.1 1.0 SG B:CYS130 2.3 91.4 1.0 CB B:CYS117 3.0 82.0 1.0 CB B:CYS120 3.2 90.8 1.0 CB B:CYS130 3.3 118.3 1.0 CB B:CYS128 3.6 86.6 1.0 N B:CYS120 3.9 83.3 1.0 N B:CYS130 4.0 99.3 1.0 CA B:CYS128 4.1 84.3 1.0 CG2 B:VAL119 4.1 95.2 1.0 CA B:CYS120 4.1 87.0 1.0 CA B:CYS130 4.3 100.4 1.0 N B:SER129 4.5 95.9 1.0 CA B:CYS117 4.5 83.8 1.0 C B:CYS128 4.6 93.9 1.0 C B:CYS120 4.9 84.1 1.0

M.Hanigovsky, P.Krafcikova, M.Klima, E.Boura. Crystal Structure of Sars-Cov-2 NSP10/NSP16 Methyltransferase in Complex with TO383 To Be Published.