Magnesium in PDB 4lq3: Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase Bound to the Inhibitor Ppnds

The structure of Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase Bound to the Inhibitor Ppnds, PDB code: 4lq3 was solved by M.Milani, D.Tarantino, E.Mastrangelo, R.Croci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.40 / 2.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	85.750, 116.100, 122.090, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 28.5

The binding sites of Magnesium atom in the Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase Bound to the Inhibitor Ppnds (pdb code 4lq3). 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 Human Norovirus Rna-Dependent Rna-Polymerase Bound to the Inhibitor Ppnds, PDB code: 4lq3:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase Bound to the Inhibitor Ppnds


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 Human Norovirus Rna-Dependent Rna-Polymerase Bound to the Inhibitor Ppnds within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg605 b:45.8 occ:1.00 O A:THR389 2.3 41.2 1.0 OD1 A:ASP344 2.3 44.9 1.0 OD2 A:ASP240 2.5 42.7 1.0 O A:GLU345 2.5 32.5 1.0 CG A:ASP240 3.1 41.6 1.0 OD1 A:ASP240 3.2 43.3 1.0 C A:THR389 3.4 43.2 1.0 CG A:ASP344 3.5 42.5 1.0 N A:GLU345 3.6 39.1 1.0 C A:GLU345 3.6 35.6 1.0 OG1 A:THR389 4.0 51.1 1.0 CA A:PHE390 4.0 41.1 1.0 N A:PHE390 4.1 42.3 1.0 OD2 A:ASP344 4.1 43.6 1.0 CA A:GLU345 4.2 36.8 1.0 CB A:ASP240 4.3 40.1 1.0 CD1 A:PHE390 4.4 38.1 1.0 C A:ASP344 4.4 39.5 1.0 CA A:THR389 4.5 44.7 1.0 CA A:ASP344 4.5 39.0 1.0 CG1 A:ILE346 4.5 40.7 1.0 CB A:ASP344 4.6 40.4 1.0 N A:ILE346 4.7 34.9 1.0 CB A:PHE390 4.7 40.1 1.0 CB A:THR389 4.7 45.5 1.0 N A:THR389 4.8 46.6 1.0 O A:HOH782 4.9 43.6 1.0

D.Tarantino, M.Pezzullo, E.Mastrangelo, R.Croci, J.Rohayem, I.Robel, M.Bolognesi, M.Milani. Naphthalene-Sulfonate Inhibitors of Human Norovirus Rna-Dependent Rna-Polymerase. Antiviral Res. V. 102 23 2014.
ISSN: ISSN 0166-3542
PubMed: 24316032
DOI: 10.1016/J.ANTIVIRAL.2013.11.016