Zinc in PDB 8ov2: Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sangivamycin

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

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sangivamycin, PDB code: 8ov2 was solved by V.Kremling, J.Sprenger, D.Oberthuer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.62 / 1.86
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	168.02, 168.02, 51.58, 90, 90, 120
R / Rfree (%)	17.7 / 19.8

The binding sites of Zinc atom in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with Sangivamycin (pdb code 8ov2). 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 NSP10-16 Methyltransferase in Complex with Sangivamycin, PDB code: 8ov2:
Jump to Zinc binding site number: 1; 2;

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


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 NSP10-16 Methyltransferase in Complex with Sangivamycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn4402 b:48.0 occ:1.00 NE2 B:HIS4336 2.1 67.1 1.0 SG B:CYS4343 2.2 59.9 1.0 SG B:CYS4327 2.3 47.5 1.0 SG B:CYS4330 2.3 45.8 1.0 H B:CYS4330 2.9 64.2 1.0 HB2 B:CYS4343 2.9 74.5 1.0 HB3 B:CYS4327 3.0 58.4 1.0 CE1 B:HIS4336 3.1 63.1 1.0 CB B:CYS4327 3.1 48.7 1.0 CD2 B:HIS4336 3.1 67.7 1.0 CB B:CYS4343 3.1 62.2 1.0 HE1 B:HIS4336 3.2 75.6 1.0 HB2 B:CYS4327 3.3 58.4 1.0 HD2 B:HIS4336 3.3 81.1 1.0 HB2 B:CYS4330 3.3 52.5 1.0 CB B:CYS4330 3.4 43.9 1.0 N B:CYS4330 3.6 53.5 1.0 HB2 B:TYR4329 3.6 66.9 1.0 HB3 B:CYS4343 3.8 74.5 1.0 HB2 B:LYS4346 3.8 54.4 1.0 CA B:CYS4330 3.9 42.4 1.0 HA B:CYS4343 4.0 102.5 1.0 H B:LYS4346 4.1 46.4 1.0 HA B:CYS4330 4.1 50.8 1.0 ND1 B:HIS4336 4.2 74.8 1.0 CA B:CYS4343 4.2 85.5 1.0 HB3 B:CYS4330 4.2 52.5 1.0 CG B:HIS4336 4.2 82.8 1.0 O B:HOH4546 4.3 63.0 1.0 HD2 B:TYR4329 4.3 79.3 1.0 HB2 B:LEU4345 4.4 56.0 1.0 H B:LEU4345 4.5 64.4 1.0 HA B:ALA4324 4.5 39.8 1.0 CA B:CYS4327 4.5 44.5 1.0 CB B:TYR4329 4.5 55.8 1.0 H B:TYR4329 4.6 50.9 1.0 C B:TYR4329 4.6 59.1 1.0 CB B:LYS4346 4.7 45.4 1.0 N B:LYS4346 4.8 38.7 1.0 HB3 B:LYS4346 4.8 54.4 1.0 C B:CYS4327 4.9 47.6 1.0 HA B:CYS4327 4.9 53.3 1.0 O B:CYS4327 5.0 40.1 1.0 CA B:TYR4329 5.0 55.7 1.0 HD1 B:HIS4336 5.0 89.7 1.0 HB3 B:TYR4329 5.0 66.9 1.0

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


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 NSP10-16 Methyltransferase in Complex with Sangivamycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn4403 b:76.7 occ:1.00 SG B:CYS4370 2.3 75.4 1.0 SG B:CYS4381 2.3 75.7 1.0 SG B:CYS4373 2.4 61.2 1.0 SG B:CYS4383 2.4 91.0 1.0 HB2 B:CYS4383 2.8 122.8 1.0 HB3 B:CYS4370 3.0 85.8 1.0 HG13 B:VAL4372 3.0 99.4 1.0 CB B:CYS4370 3.1 71.5 1.0 HB3 B:CYS4373 3.1 71.5 1.0 HB2 B:CYS4370 3.1 85.8 1.0 CB B:CYS4383 3.2 102.4 1.0 H B:CYS4373 3.2 78.0 1.0 CB B:CYS4373 3.3 59.7 1.0 H B:CYS4383 3.5 120.7 1.0 CB B:CYS4381 3.5 75.0 1.0 O B:HOH4519 3.6 71.6 1.0 HA B:CYS4381 3.6 94.4 1.0 HB2 B:CYS4381 3.6 90.0 1.0 CG1 B:VAL4372 3.8 82.9 1.0 HB3 B:CYS4383 3.8 122.8 1.0 HG12 B:VAL4372 3.8 99.4 1.0 N B:CYS4373 3.9 65.0 1.0 CA B:CYS4381 4.0 78.8 1.0 HG11 B:VAL4372 4.1 99.4 1.0 N B:CYS4383 4.1 100.7 1.0 HB2 B:CYS4373 4.1 71.5 1.0 HD3 B:LYS4377 4.2 102.8 1.0 CA B:CYS4373 4.2 69.3 1.0 CA B:CYS4383 4.2 106.5 1.0 HZ3 B:LYS4377 4.3 118.3 1.0 H B:SER4382 4.3 99.7 1.0 HB3 B:CYS4381 4.4 90.0 1.0 H B:VAL4372 4.4 77.8 1.0 CA B:CYS4370 4.5 66.0 1.0 H B:MET4375 4.5 70.6 1.0 N B:SER4382 4.6 83.1 1.0 C B:CYS4381 4.6 80.3 1.0 HE2 B:LYS4377 4.6 118.4 1.0 HB2 B:MET4375 4.6 63.8 1.0 HA B:CYS4383 4.6 127.7 1.0 H B:GLY4374 4.8 85.4 1.0 HA B:CYS4370 4.8 79.1 1.0 C B:CYS4373 4.9 68.9 1.0 CD B:LYS4377 5.0 85.7 1.0 C B:CYS4370 5.0 65.3 1.0 C B:VAL4372 5.0 69.2 1.0 HA B:CYS4373 5.0 83.1 1.0

V.Kremling, J.Sprenger, D.Oberthuer, S.Falke, O.Yefanov, M.Galchenkova, P.Middendorf, Y.Fernandez Garcia, C.Ehrt, A.Kiene, B.Klopprogge, H.Chapman. Crystal Structures of Tubercidin and Adenosine Bound to the Active Site of the Sars-Cov-2 Methyltransferase NSP10-16 To Be Published.