Magnesium in PDB 7wqb: Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132

All present enzymatic activity of Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132:
3.4.22.69;

The structure of Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132, PDB code: 7wqb 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)	23.43 / 1.87
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.977, 53.483, 45.408, 90, 101.64, 90
R / Rfree (%)	18.8 / 22.8

The binding sites of Magnesium atom in the Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132 (pdb code 7wqb). 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 Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132, PDB code: 7wqb:

Magnesium binding site 1 out of 1 in the Sars-Cov-2 Main Protease Mutant (P168A) 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 Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:10.6 occ:0.00 ND1 A:HIS41 2.8 11.2 1.0 OD2 A:ASP187 2.9 12.4 1.0 ND1 A:HIS164 2.9 7.1 1.0 N A:HIS41 3.1 8.5 1.0 N A:ARG40 3.4 10.9 1.0 CE1 A:HIS164 3.5 7.9 1.0 CB A:HIS41 3.5 9.7 1.0 CG A:HIS41 3.5 11.7 1.0 CB A:ASP187 3.6 8.6 1.0 CG A:ARG40 3.6 10.1 1.0 CG A:ASP187 3.7 10.1 1.0 O A:CYS85 3.7 10.7 1.0 CB A:PRO39 3.8 8.3 1.0 CA A:HIS41 3.9 11.1 1.0 CE1 A:HIS41 3.9 14.4 1.0 C A:PRO39 3.9 11.4 1.0 C A:ARG40 4.0 9.2 1.0 CA A:PRO39 4.1 9.3 1.0 CA A:ARG40 4.1 10.6 1.0 CG A:HIS164 4.2 9.3 1.0 OH A:TYR54 4.4 10.9 1.0 CB A:ARG40 4.4 11.5 1.0 CB A:HIS164 4.7 8.6 1.0 CD2 A:HIS41 4.7 12.3 1.0 CB A:CYS85 4.7 9.1 1.0 NE2 A:HIS164 4.7 10.2 1.0 O A:PRO39 4.8 10.1 1.0 NE A:ARG40 4.8 11.1 1.0 CD A:ARG40 4.8 11.1 1.0 NE2 A:HIS41 4.8 16.4 1.0 C A:CYS85 4.8 13.6 1.0 CZ A:TYR54 4.9 11.6 1.0 OD1 A:ASP187 4.9 15.1 1.0

Y.C.Wang, C.S.Yang, M.H.Hou, C.L.Tsai, Y.Chen. Sars-Cov-2 Main Protease Mutant (P168A) in Complex with Mg-132 To Be Published.