Zinc in PDB 9grq: Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline

All present enzymatic activity of Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline:
2.1.1.57;

The structure of Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline, PDB code: 9grq was solved by V.Kremling, J.Sprenger, D.Oberthuer, A.Kiene, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.10 / 1.85
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	166.63, 166.63, 51.52, 90, 90, 120
R / Rfree (%)	18.5 / 19.1

The structure of Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Zinc atom in the Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline (pdb code 9grq). 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 Methyltransferase NSP10-16 in Complex with Sam and Theophylline, PDB code: 9grq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline


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 Methyltransferase NSP10-16 in Complex with Sam and Theophylline within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn4401 b:35.4 occ:1.00 NE2 B:HIS4336 2.0 34.9 1.0 SG B:CYS4330 2.3 33.1 1.0 SG B:CYS4327 2.3 32.5 1.0 SG B:CYS4343 2.3 33.0 1.0 CD2 B:HIS4336 3.0 34.8 1.0 CE1 B:HIS4336 3.1 33.1 1.0 CB B:CYS4327 3.1 31.1 1.0 CB B:CYS4343 3.3 36.6 1.0 CB B:CYS4330 3.4 29.4 1.0 N B:CYS4330 3.6 29.1 1.0 CA B:CYS4330 4.0 29.9 1.0 CG B:HIS4336 4.1 40.8 1.0 ND1 B:HIS4336 4.1 35.5 1.0 O B:HOH4597 4.2 45.3 1.0 CA B:CYS4343 4.4 39.4 1.0 CA B:CYS4327 4.6 27.6 1.0 CB B:TYR4329 4.6 35.0 1.0 C B:TYR4329 4.6 35.0 1.0 CB B:LYS4346 4.8 31.6 1.0 N B:LYS4346 4.9 27.1 1.0 CA B:TYR4329 5.0 34.4 1.0 C B:CYS4327 5.0 28.0 1.0 N B:TYR4329 5.0 34.6 1.0

Zinc binding site 2 out of 2 in the Sars-Cov-2 Methyltransferase NSP10-16 in Complex with Sam and Theophylline


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 Methyltransferase NSP10-16 in Complex with Sam and Theophylline within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn4402 b:52.9 occ:1.00 SG B:CYS4370 2.3 49.3 1.0 SG B:CYS4373 2.3 50.5 1.0 SG B:CYS4381 2.3 52.9 1.0 SG B:CYS4383 2.3 57.7 1.0 CB B:CYS4370 3.1 43.0 1.0 CB B:CYS4383 3.2 60.0 1.0 CB B:CYS4373 3.3 57.7 1.0 CB B:CYS4381 3.3 48.4 1.0 N B:CYS4373 3.8 51.0 1.0 N B:CYS4383 3.9 62.0 1.0 CA B:CYS4381 4.0 53.5 1.0 O B:HOH4581 4.1 69.0 1.0 CA B:CYS4373 4.1 55.6 1.0 O B:HOH4543 4.2 50.7 1.0 CA B:CYS4383 4.2 64.9 1.0 N B:SER4382 4.5 50.3 1.0 CB B:VAL4372 4.5 58.1 1.0 C B:CYS4381 4.5 51.7 1.0 CA B:CYS4370 4.6 48.5 1.0 NZ B:LYS4377 4.6 66.5 1.0 C B:VAL4372 4.8 54.6 1.0 C B:CYS4373 4.9 51.5 1.0

V.Kremling, J.Sprenger, D.Oberthuer, H.N.Chapman, P.Middendorf, S.Falke, A.Kiene, B.Klopprogge, T.E.S.Scheer, A.Creon. Crystal Structures of Sars-Cov-2 Methyltransferase NSP10-16 with CAP0-Site Binders To Be Published.