Manganese in PDB 7nuh: Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin

The structure of Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin, PDB code: 7nuh 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)	45.24 / 2.20
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.967, 73.967, 127.575, 90, 90, 120
R / Rfree (%)	19.3 / 26.4

The structure of Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin (pdb code 7nuh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin, PDB code: 7nuh:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:39.4 occ:1.00 O A:ILE120 2.2 32.9 1.0 OD2 A:ASP108 2.2 34.0 1.0 OE2 A:GLU119 2.2 35.6 1.0 O10 A:USE210 2.3 35.1 1.0 NE2 A:HIS41 2.3 25.3 1.0 O11 A:USE210 2.3 36.2 1.0 C4 A:USE210 3.0 43.9 1.0 C3 A:USE210 3.0 42.0 1.0 CG A:ASP108 3.1 32.0 1.0 CE1 A:HIS41 3.1 26.6 1.0 CD A:GLU119 3.2 35.8 1.0 OD1 A:ASP108 3.3 27.9 1.0 C A:ILE120 3.3 32.6 1.0 CD2 A:HIS41 3.3 26.4 1.0 N A:ILE120 3.6 34.5 1.0 MN A:MN202 3.7 35.8 0.6 OE1 A:GLU119 3.8 37.3 1.0 NZ A:LYS134 3.8 50.1 1.0 CA A:ILE120 4.0 32.7 1.0 O A:HOH329 4.1 28.1 1.0 CG A:GLU119 4.1 34.8 1.0 MG A:MG203 4.2 43.0 0.6 ND1 A:HIS41 4.2 25.5 1.0 C5 A:USE210 4.3 45.3 1.0 C2 A:USE210 4.3 42.8 1.0 CE A:LYS134 4.3 54.0 1.0 CB A:ILE120 4.4 34.5 1.0 CG A:HIS41 4.4 26.4 1.0 O A:HOH366 4.4 33.0 1.0 O A:HOH432 4.4 44.7 1.0 N A:GLY121 4.4 36.5 1.0 CB A:ASP108 4.4 34.4 1.0 C A:GLU119 4.6 36.0 1.0 OE1 A:GLU80 4.7 33.0 1.0 CA A:GLY121 4.8 32.6 1.0 CG2 A:ILE120 4.9 34.3 1.0 CA A:GLU119 4.9 35.7 1.0

Manganese binding site 2 out of 2 in the Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Influenza A/California/07/2009(H1N1) Endonuclease with I38T Mutation in Complex with Orientin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:35.8 occ:0.57 MG A:MG203 0.8 43.0 0.6 O A:HOH329 2.1 28.1 1.0 OD1 A:ASP108 2.1 27.9 1.0 OE1 A:GLU80 2.3 33.0 1.0 O10 A:USE210 2.3 35.1 1.0 O A:HOH339 2.4 30.8 1.0 O A:HOH443 2.5 39.1 1.0 CG A:ASP108 3.1 32.0 1.0 CD A:GLU80 3.4 36.9 1.0 C4 A:USE210 3.4 43.9 1.0 OD2 A:ASP108 3.6 34.0 1.0 MN A:MN201 3.7 39.4 1.0 C5 A:USE210 3.8 45.3 1.0 CE1 A:HIS41 4.0 26.6 1.0 O A:HOH432 4.1 44.7 1.0 O A:LEU106 4.1 37.2 1.0 O A:PRO107 4.1 36.3 1.0 O A:HOH396 4.2 33.3 1.0 O A:HOH402 4.2 40.0 1.0 OE1 A:GLU119 4.2 37.3 1.0 OE2 A:GLU119 4.2 35.6 1.0 OE2 A:GLU80 4.2 35.0 1.0 CG A:GLU80 4.3 34.5 1.0 CB A:ASP108 4.3 34.4 1.0 C A:PRO107 4.3 35.7 1.0 O A:HOH475 4.3 37.6 1.0 CA A:ASP108 4.3 31.4 1.0 N A:ASP108 4.4 33.8 1.0 CB A:GLU80 4.5 35.0 1.0 NE2 A:HIS41 4.5 25.3 1.0 CD A:GLU119 4.6 35.8 1.0 C3 A:USE210 4.7 42.0 1.0 CA A:GLU80 5.0 34.5 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