Magnesium in PDB 6ywm: Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes

All present enzymatic activity of Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

The structure of Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes, PDB code: 6ywm was solved by X.Ni, M.Schroeder, V.Olieric, E.M.Sharpe, J.A.Wojdyla, M.Wang, S.Knapp, A.Chaikuad, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.22 / 2.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.800, 109.051, 114.358, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 22.9

The binding sites of Magnesium atom in the Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes (pdb code 6ywm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes, PDB code: 6ywm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:13.0 occ:1.00 O B:HOH312 1.9 34.2 1.0 N B:HIS1 1.9 32.5 1.0 ND1 B:HIS1 2.0 34.5 1.0 N B:GLY0 2.0 33.2 1.0 O B:HOH325 2.0 25.5 1.0 C B:GLY0 2.7 33.4 1.0 CA B:GLY0 2.8 31.6 1.0 CG B:HIS1 3.0 34.6 1.0 CE1 B:HIS1 3.0 35.2 1.0 CA B:HIS1 3.1 34.8 1.0 CB B:HIS1 3.2 34.9 1.0 N B:MET2 3.8 38.3 1.0 O B:GLY0 3.9 33.7 1.0 C B:HIS1 4.0 36.2 1.0 CD2 B:HIS1 4.1 35.0 1.0 NE2 B:HIS1 4.1 34.8 1.0 O B:HOH326 4.2 37.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:28.5 occ:1.00 O2 C:EDO203 2.1 48.4 1.0 OD2 C:ASP157 2.1 52.9 1.0 O C:HOH306 2.6 39.2 1.0 CG C:ASP157 3.1 55.6 1.0 OD1 C:ASP157 3.4 58.1 1.0 C2 C:EDO203 3.4 49.5 1.0 O1 C:EDO203 3.6 52.9 1.0 C1 C:EDO203 4.1 51.2 1.0 CB C:ASP157 4.5 49.6 1.0 O C:HOH351 4.7 38.2 1.0 N C:LEU160 4.7 43.8 1.0 CB C:ASN159 4.8 47.6 1.0 CB C:LEU160 5.0 41.1 1.0

X.Ni, M.Schroeder, V.Olieric, E.M.Sharpe, J.A.Wojdyla, M.Wang, S.Knapp, A.Chaikuad, Structural Genomics Consortium (Sgc). Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Mes To Be Published.