Magnesium in PDB 7bf3: Crystal Structure of Sars-Cov-2 Macrodomain in Complex with Adenosine

All present enzymatic activity of Crystal Structure of Sars-Cov-2 Macrodomain in Complex with Adenosine:
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 Macrodomain in Complex with Adenosine, PDB code: 7bf3 was solved by X.Ni, S.Knapp, A.Chaikuad, Structural Genomics Consortium, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.222, 111.439, 195.965, 90, 90, 90
R / Rfree (%)	17.5 / 21.7

The binding sites of Magnesium atom in the Crystal Structure of Sars-Cov-2 Macrodomain in Complex with Adenosine (pdb code 7bf3). 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 Macrodomain in Complex with Adenosine, PDB code: 7bf3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 Macrodomain in Complex with Adenosine


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 Macrodomain in Complex with Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:8.3 occ:1.00 O B:HOH327 1.9 19.2 1.0 N B:HIS1 2.0 27.5 1.0 ND1 B:HIS1 2.0 26.6 1.0 N B:GLY0 2.0 27.9 1.0 O B:HOH338 2.0 25.3 1.0 C B:GLY0 2.7 28.8 1.0 CA B:GLY0 2.8 27.9 1.0 CG B:HIS1 2.9 27.8 1.0 CE1 B:HIS1 3.0 26.9 1.0 CA B:HIS1 3.1 29.5 1.0 CB B:HIS1 3.2 28.9 1.0 N B:MET2 3.8 32.3 1.0 C B:HIS1 3.9 32.1 1.0 O B:GLY0 4.0 28.4 1.0 CD2 B:HIS1 4.1 27.4 1.0 NE2 B:HIS1 4.1 27.3 1.0 O B:HOH337 4.3 27.5 1.0 O B:HOH309 4.6 43.5 1.0 CG B:MET2 5.0 46.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 Macrodomain in Complex with Adenosine


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 Macrodomain in Complex with Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:11.9 occ:1.00 N C:HIS1 2.0 32.5 1.0 ND1 C:HIS1 2.0 29.2 1.0 N C:GLY0 2.0 33.5 1.0 OE2 C:GLU120 2.1 28.6 1.0 OE1 C:GLU120 2.2 26.3 1.0 CD C:GLU120 2.4 27.6 1.0 C C:GLY0 2.8 36.9 1.0 CA C:GLY0 2.9 34.1 1.0 CG C:HIS1 3.0 30.5 1.0 CE1 C:HIS1 3.0 29.8 1.0 CA C:HIS1 3.1 34.9 1.0 CB C:HIS1 3.3 32.8 1.0 N C:MET2 3.6 39.8 1.0 C C:HIS1 3.8 35.9 1.0 CG C:GLU120 4.0 28.5 1.0 O C:GLY0 4.0 38.8 1.0 CD2 C:HIS1 4.1 30.0 1.0 NE2 C:HIS1 4.2 30.8 1.0 O C:HOH333 4.6 40.9 1.0 O C:HOH399 4.8 46.0 1.0 CA C:MET2 4.9 46.9 1.0 CB C:GLU120 4.9 24.9 1.0 CB C:MET2 4.9 53.8 1.0 O C:HIS1 5.0 36.5 1.0

X.Ni, S.Knapp, A.Chaikuad, Structural Genomics Consortium. Crystal Structure of Sars-Cov-2 Macrodomain in Complex with Adenosine To Be Published.