Magnesium in PDB 4lq9: Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase in Complex with NAF2

The structure of Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase in Complex with NAF2, PDB code: 4lq9 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)	45.41 / 2.04
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.570, 111.840, 121.360, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.3

The binding sites of Magnesium atom in the Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase in Complex with NAF2 (pdb code 4lq9). 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 in Complex with NAF2, PDB code: 4lq9:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Norovirus Rna-Dependent Rna-Polymerase in Complex with NAF2


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 in Complex with NAF2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:19.6 occ:1.00 OD1 A:ASP344 2.3 16.8 1.0 O A:HOH858 2.4 23.4 1.0 OD1 A:ASP240 2.4 36.5 1.0 O A:HOH862 2.4 15.2 1.0 O A:THR389 2.5 16.9 1.0 O A:GLU345 2.6 12.1 1.0 CG A:ASP240 3.2 37.2 1.0 OD2 A:ASP240 3.3 36.0 1.0 N A:GLU345 3.5 14.3 1.0 CG A:ASP344 3.6 20.0 1.0 C A:THR389 3.6 16.8 1.0 C A:GLU345 3.7 13.6 1.0 OG1 A:THR389 4.0 27.0 1.0 CA A:PHE390 4.1 15.1 1.0 CD1 A:PHE390 4.2 15.8 1.0 CA A:GLU345 4.2 12.9 1.0 OD2 A:ASP344 4.2 23.0 1.0 N A:PHE390 4.3 15.2 1.0 O A:HOH760 4.3 22.6 1.0 O A:ALA241 4.4 29.7 1.0 C A:ASP344 4.5 17.1 1.0 OD1 A:ASP242 4.5 43.2 1.0 CB A:PHE390 4.5 14.6 1.0 CA A:ASP344 4.6 17.3 1.0 CB A:ASP240 4.6 31.8 1.0 CB A:ASP344 4.7 17.9 1.0 CA A:THR389 4.7 17.0 1.0 N A:ILE346 4.8 12.9 1.0 CG A:GLU345 4.8 14.2 1.0 CB A:THR389 4.8 19.5 1.0 CG A:PHE390 4.9 15.4 1.0 N A:THR389 5.0 13.2 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