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

All present enzymatic activity of Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Adp-Ribose:
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 Adp-Ribose, PDB code: 6ywl was solved by M.Schroeder, X.Ni, 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)	48.83 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.395, 111.922, 195.333, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 22.3

The binding sites of Magnesium atom in the Crystal Structure of Sars-Cov-2 (Covid-19) NSP3 Macrodomain in Complex with Adp-Ribose (pdb code 6ywl). 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 Adp-Ribose, PDB code: 6ywl:
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 Adp-Ribose


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 Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg202 b:17.3 occ:1.00 ND1 C:HIS1 2.0 36.3 1.0 N C:HIS1 2.1 39.9 1.0 OE1 C:GLU120 2.1 37.3 1.0 N C:GLY0 2.1 38.0 1.0 OE2 C:GLU120 2.4 43.6 1.0 CD C:GLU120 2.5 40.6 1.0 C C:GLY0 2.8 42.6 1.0 CA C:GLY0 2.9 39.4 1.0 CG C:HIS1 2.9 38.7 1.0 CE1 C:HIS1 3.1 37.3 1.0 CA C:HIS1 3.1 41.8 1.0 CB C:HIS1 3.2 41.6 1.0 N C:MET2 3.8 49.3 1.0 C C:HIS1 4.0 44.0 1.0 O C:GLY0 4.0 43.5 1.0 CG C:GLU120 4.1 38.2 1.0 CD2 C:HIS1 4.1 36.2 1.0 NE2 C:HIS1 4.2 35.8 1.0

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


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 Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg202 b:15.9 occ:1.00 O E:HOH301 1.7 34.2 1.0 ND1 E:HIS1 2.0 36.6 1.0 N E:GLY0 2.0 39.2 1.0 N E:HIS1 2.0 41.9 1.0 C E:GLY0 2.8 43.4 1.0 CA E:GLY0 2.9 41.4 1.0 CG E:HIS1 2.9 39.8 1.0 CE1 E:HIS1 3.0 38.0 1.0 CA E:HIS1 3.1 45.3 1.0 CB E:HIS1 3.2 42.2 1.0 N E:MET2 3.7 54.3 1.0 C E:HIS1 4.0 49.4 1.0 O E:GLY0 4.0 43.2 1.0 CD2 E:HIS1 4.1 39.0 1.0 NE2 E:HIS1 4.1 38.8 1.0 O E:HOH309 4.3 36.4 1.0

M.Schroeder, X.Ni, 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 Adp-Ribose To Be Published.