Magnesium in PDB 8jux: Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01, PDB code: 8jux was solved by Y.-J.Hsieh, K.-P.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 3.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.83, 99.83, 295.872, 90, 90, 120
R / Rfree (%)	21.7 / 23.3

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 (pdb code 8jux). 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 Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01, PDB code: 8jux:

Magnesium binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01


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 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg400 b:71.7 occ:1.00 OD2 A:ASP108 3.3 84.7 1.0 ND1 A:HIS89 3.8 108.5 1.0 O A:HIS89 4.2 77.5 1.0 CB A:HIS89 4.2 79.5 1.0 NE1 A:TRP93 4.3 77.9 1.0 CG A:ASP108 4.3 100.4 1.0 CG A:HIS89 4.5 89.0 1.0 CA A:HIS89 4.5 78.9 1.0 OD1 A:ASP108 4.6 118.0 1.0 CD1 A:TRP93 4.6 86.8 1.0 CB A:LYS92 4.7 83.2 1.0 CD A:LYS92 4.7 117.3 1.0 C A:HIS89 4.8 76.6 1.0 CE1 A:HIS89 4.9 115.0 1.0

Y.-J.Hsieh, K.-P.Wu. Crystal Structure of Sars-Cov-2 Papain-Like Protease Complexed with Noncovalent Inhibitor Sr-01 To Be Published.