Manganese in PDB 4zi0: Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site

The structure of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site, PDB code: 4zi0 was solved by S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, S.Neya, T.Hoshino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.28 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.758, 66.758, 126.744, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.5

The structure of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site (pdb code 4zi0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site, PDB code: 4zi0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:39.3 occ:1.00 OE2 A:GLU119 2.2 38.5 1.0 OD2 A:ASP108 2.2 31.4 1.0 O A:HOH524 2.2 38.2 1.0 O A:ILE120 2.3 30.9 1.0 NE2 A:HIS41 2.4 32.8 1.0 O A:HOH508 2.4 40.1 1.0 CE1 A:HIS41 3.1 32.1 1.0 CG A:ASP108 3.1 37.0 1.0 CD A:GLU119 3.2 44.3 1.0 OD1 A:ASP108 3.3 34.9 1.0 C A:ILE120 3.4 35.5 1.0 CD2 A:HIS41 3.5 28.2 1.0 MN A:MN303 3.7 40.9 1.0 N A:ILE120 3.7 26.2 1.0 OE1 A:GLU119 3.8 33.5 1.0 O A:HOH435 3.8 39.1 1.0 CA A:ILE120 4.1 24.3 1.0 NZ A:LYS134 4.2 46.6 1.0 ND1 A:HIS41 4.2 29.8 1.0 CB A:ILE120 4.3 29.2 1.0 O A:HOH476 4.3 36.3 1.0 CG A:GLU119 4.3 39.8 1.0 N A:GLY121 4.4 30.0 1.0 CG A:HIS41 4.5 31.2 1.0 CB A:ASP108 4.5 28.6 1.0 O A:HOH496 4.6 64.2 1.0 C A:GLU119 4.6 32.8 1.0 CA A:GLY121 4.6 27.6 1.0 OE1 A:GLU80 4.8 43.8 1.0 O A:HOH549 4.8 58.7 1.0 CE A:LYS134 4.8 44.6 1.0 CA A:GLU119 4.9 29.0 1.0

Manganese binding site 2 out of 2 in the Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Endonuclease Inhibitor Bound to Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region Without A Chelation to the Metal Ions in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn303 b:40.9 occ:1.00 O A:HOH435 2.0 39.1 1.0 O A:HOH524 2.1 38.2 1.0 OD1 A:ASP108 2.2 34.9 1.0 OE1 A:GLU80 2.2 43.8 1.0 O A:HOH537 2.3 44.2 1.0 O A:HOH481 2.3 36.1 1.0 CG A:ASP108 3.2 37.0 1.0 CD A:GLU80 3.4 37.3 1.0 OD2 A:ASP108 3.7 31.4 1.0 MN A:MN302 3.7 39.3 1.0 CE1 A:HIS41 3.9 32.1 1.0 O A:LEU106 4.1 39.4 1.0 O A:PRO107 4.1 33.6 1.0 O A:HOH563 4.1 60.3 1.0 OE2 A:GLU80 4.2 46.0 1.0 CG A:GLU80 4.2 36.9 1.0 C A:PRO107 4.3 32.7 1.0 OE1 A:GLU119 4.4 33.5 1.0 CB A:ASP108 4.4 28.6 1.0 CB A:GLU80 4.4 34.0 1.0 O A:HOH453 4.4 58.1 1.0 CA A:ASP108 4.4 26.3 1.0 OE2 A:GLU119 4.5 38.5 1.0 N A:ASP108 4.5 29.4 1.0 NE2 A:HIS41 4.5 32.8 1.0 O A:HOH525 4.6 65.7 1.0 O A:HOH496 4.9 64.2 1.0 CD A:GLU119 4.9 44.3 1.0 ND1 A:HIS41 4.9 29.8 1.0 C A:LEU106 5.0 41.2 1.0

S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, S.Neya, T.Hoshino. Analysis of the Distinctive Binding Modes of Two Endonuclease Inhibitors to Influenza Virus Polymerase Acidic Subunit N-Terminal Region To Be Published.