Magnesium in PDB 7nug: Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin

The structure of Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin, PDB code: 7nug 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)	42.15 / 1.90
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.361, 74.361, 126.462, 90, 90, 120
R / Rfree (%)	19.5 / 25.1

The structure of Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Magnesium atom in the Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin (pdb code 7nug). 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 Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin, PDB code: 7nug:

Magnesium binding site 1 out of 1 in the Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Influenza A/California/07/2009(H1N1) Endonuclease in Complex with Orientin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:19.6 occ:0.59 MN A:MN202 0.5 21.6 0.6 OE1 A:GLU80 1.8 19.5 1.0 O10 A:USE212 2.1 16.8 1.0 O A:HOH431 2.1 18.1 1.0 OD1 A:ASP108 2.3 13.1 1.0 O A:HOH400 2.6 15.2 1.0 O A:HOH324 2.7 18.7 1.0 CD A:GLU80 3.0 18.5 1.0 C4 A:USE212 3.1 18.0 1.0 C5 A:USE212 3.3 19.3 1.0 CG A:ASP108 3.4 16.0 1.0 MN A:MN201 3.8 15.8 1.0 CE1 A:HIS41 3.8 14.5 1.0 O A:HOH371 3.8 24.3 1.0 OE2 A:GLU80 3.9 20.1 1.0 OD2 A:ASP108 3.9 15.4 1.0 CG A:GLU80 3.9 18.2 1.0 O A:HOH338 4.3 38.6 1.0 O A:HOH373 4.3 19.4 1.0 CB A:GLU80 4.3 18.3 1.0 O A:HOH470 4.4 20.1 1.0 C3 A:USE212 4.4 18.8 1.0 NE2 A:HIS41 4.4 13.8 1.0 OE2 A:GLU119 4.6 18.0 1.0 O A:LEU106 4.6 18.2 1.0 OE1 A:GLU119 4.7 19.3 1.0 CB A:ASP108 4.7 15.6 1.0 C6 A:USE212 4.7 20.9 1.0 O A:PRO107 4.7 18.4 1.0 CA A:ASP108 4.8 16.9 1.0 ND1 A:HIS41 4.8 12.4 1.0 O11 A:USE212 4.8 17.8 1.0 CA A:GLU80 4.9 17.7 1.0 C A:PRO107 4.9 17.0 1.0 N A:ASP108 4.9 16.8 1.0

R.Reiberger, K.Radilova, M.Kral, V.Zima, P.Majer, J.Brynda, M.Dracinsky, J.Konvalinka, M.Kozisek, A.Machara. Synthesis and in Vitro Evaluation of C-7 and C-8 Luteolin Derivatives As Influenza Endonuclease Inhibitors Int J Mol Sci V. 22 2021.
ISSN: ESSN 1422-0067
DOI: 10.3390/IJMS22147735