Magnesium in PDB 6yem: H1N1 2009 Pa Endonuclease in Complex with Quambalarine B

The structure of H1N1 2009 Pa Endonuclease in Complex with Quambalarine B, PDB code: 6yem was solved by K.Radilova, J.Brynda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.21 / 2.50
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.340, 73.340, 128.750, 90.00, 90.00, 120.00
R / Rfree (%)	26.1 / 31.8

The structure of H1N1 2009 Pa Endonuclease in Complex with Quambalarine B also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the H1N1 2009 Pa Endonuclease in Complex with Quambalarine B (pdb code 6yem). 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 H1N1 2009 Pa Endonuclease in Complex with Quambalarine B, PDB code: 6yem:

Magnesium binding site 1 out of 1 in the H1N1 2009 Pa Endonuclease in Complex with Quambalarine B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of H1N1 2009 Pa Endonuclease in Complex with Quambalarine B within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:58.1 occ:1.00 O A:GLU80 4.4 54.1 1.0 CG2 A:ILE78 4.4 58.6 1.0 CG A:ARG82 4.4 51.8 1.0 CE1 A:PHE46 4.4 68.8 1.0 CZ A:PHE46 4.5 63.5 1.0 C A:GLY81 4.7 52.4 1.0 N A:ARG82 4.8 51.0 1.0 CZ A:ARG82 4.9 61.0 1.0 CD1 A:ILE78 4.9 49.1 1.0 NH1 A:ARG82 4.9 63.7 1.0 CA A:GLY81 4.9 56.1 1.0 CB A:ILE78 5.0 57.5 1.0 O A:GLY81 5.0 62.7 1.0

V.Zima, K.Radilova, M.Kozisek, C.B.Albinana, E.Karlukova, J.Brynda, J.Fanfrlik, M.Flieger, J.Hodek, J.Weber, P.Majer, J.Konvalinka, A.Machara. Unraveling the Anti-Influenza Effect of Flavonoids: Experimental Validation of Luteolin and Its Congeners As Potent Influenza Endonuclease Inhibitors. Eur.J.Med.Chem. V. 208 12754 2020.
ISSN: ISSN 0223-5234
PubMed: 32883638
DOI: 10.1016/J.EJMECH.2020.112754