Magnesium in PDB 7wqk: Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132

All present enzymatic activity of Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

The structure of Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132, PDB code: 7wqk was solved by Y.C.Wang, C.S.Yang, M.H.Hou, C.L.Tsai, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.65 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.978, 55.14, 47.111, 90, 102.34, 90
R / Rfree (%)	22.8 / 28.9

The binding sites of Magnesium atom in the Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132 (pdb code 7wqk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132, PDB code: 7wqk:

Magnesium binding site 1 out of 1 in the Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg400 b:24.6 occ:1.00 CD2 A:HIS164 2.8 9.4 1.0 ND1 A:HIS41 2.8 15.1 1.0 OD2 A:ASP187 2.9 11.9 1.0 CB A:ASP187 3.4 12.4 1.0 N A:HIS41 3.4 14.0 1.0 N A:ARG40 3.5 13.8 1.0 CB A:HIS41 3.6 14.4 1.0 CG A:HIS41 3.6 14.8 1.0 CG A:ASP187 3.6 12.2 1.0 NE2 A:HIS164 3.6 9.1 1.0 O A:CYS85 3.7 15.8 1.0 CB A:PRO39 3.8 15.7 1.0 CG A:ARG40 3.9 13.7 1.0 CE1 A:HIS41 3.9 14.8 1.0 CG A:HIS164 3.9 10.2 1.0 C A:PRO39 4.0 14.8 1.0 CA A:HIS41 4.1 14.6 1.0 CA A:PRO39 4.1 16.1 1.0 C A:ARG40 4.3 14.0 1.0 CA A:ARG40 4.3 14.1 1.0 CB A:HIS164 4.4 10.5 1.0 CB A:CYS85 4.6 16.0 1.0 CB A:ARG40 4.6 13.7 1.0 OH A:TYR54 4.6 17.1 1.0 C A:CYS85 4.8 16.9 1.0 CD2 A:HIS41 4.8 14.0 1.0 CA A:ASP187 4.8 13.7 1.0 OD1 A:ASP187 4.8 12.8 1.0 CE1 A:HIS164 4.8 9.7 1.0 NE A:ARG40 4.9 14.7 1.0 O A:PRO39 4.9 15.7 1.0 NE2 A:HIS41 4.9 14.1 1.0 C26 A:ALD401 4.9 22.6 0.5 C27 A:ALD401 4.9 28.5 0.5 CD A:ARG40 5.0 14.0 1.0 ND1 A:HIS164 5.0 9.9 1.0

Y.C.Wang, C.S.Yang, M.H.Hou, C.L.Tsai, Y.Chen. Wild-Type Sars-Cov-2 Main Protease in Complex with Mg-132 To Be Published.