Manganese in PDB 4zqq: Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region

The structure of Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region, PDB code: 4zqq 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)	29.42 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.333, 66.333, 127.338, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.4

The binding sites of Manganese atom in the Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region (pdb code 4zqq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region, PDB code: 4zqq:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:33.4 occ:1.00 OE2 A:GLU119 2.0 35.1 1.0 O A:HOH515 2.1 32.5 1.0 OD2 A:ASP108 2.2 23.0 1.0 O A:ILE120 2.2 23.3 1.0 O A:HOH497 2.3 32.5 1.0 NE2 A:HIS41 2.4 28.5 1.0 CD A:GLU119 3.1 33.9 1.0 CG A:ASP108 3.1 32.3 1.0 CE1 A:HIS41 3.1 24.3 1.0 C A:ILE120 3.3 22.4 1.0 OD1 A:ASP108 3.4 24.2 1.0 CD2 A:HIS41 3.5 27.5 1.0 OE1 A:GLU119 3.7 27.9 1.0 N A:ILE120 3.7 20.3 1.0 MN A:MN302 3.7 39.6 1.0 O A:HOH433 3.8 42.3 1.0 O A:HOH543 4.0 48.8 1.0 O A:HOH599 4.0 51.1 1.0 CA A:ILE120 4.0 17.1 1.0 CG A:GLU119 4.2 34.0 1.0 NZ A:LYS134 4.2 47.2 1.0 ND1 A:HIS41 4.3 22.4 1.0 N A:GLY121 4.3 19.4 1.0 CB A:ILE120 4.4 21.9 1.0 O A:HOH483 4.4 26.6 1.0 CB A:ASP108 4.5 20.8 1.0 CG A:HIS41 4.5 27.8 1.0 CA A:GLY121 4.6 23.2 1.0 C A:GLU119 4.6 18.5 1.0 OE1 A:GLU80 4.6 41.9 1.0 CA A:GLU119 4.8 18.1 1.0 CE A:LYS134 5.0 39.3 1.0

Manganese binding site 2 out of 2 in the Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Apo Form of Influenza Strain H1N1 Polymerase Acidic Subunit N-Terminal Region within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:39.6 occ:1.00 O A:HOH433 2.0 42.3 1.0 O A:HOH515 2.1 32.5 1.0 OD1 A:ASP108 2.1 24.2 1.0 OE1 A:GLU80 2.1 41.9 1.0 O A:HOH490 2.2 27.9 1.0 O A:HOH560 2.3 40.8 1.0 CG A:ASP108 3.2 32.3 1.0 CD A:GLU80 3.3 23.7 1.0 OD2 A:ASP108 3.7 23.0 1.0 MN A:MN301 3.7 33.4 1.0 CE1 A:HIS41 3.8 24.3 1.0 OE2 A:GLU80 4.0 44.1 1.0 O A:LEU106 4.1 31.2 1.0 O A:PRO107 4.1 26.7 1.0 O A:HOH543 4.1 48.8 1.0 CG A:GLU80 4.2 31.2 1.0 C A:PRO107 4.3 21.7 1.0 CB A:ASP108 4.4 20.8 1.0 OE1 A:GLU119 4.4 27.9 1.0 NE2 A:HIS41 4.4 28.5 1.0 CA A:ASP108 4.4 17.1 1.0 O A:HOH599 4.4 51.1 1.0 OE2 A:GLU119 4.5 35.1 1.0 CB A:GLU80 4.5 27.2 1.0 N A:ASP108 4.5 20.2 1.0 ND1 A:HIS41 4.8 22.4 1.0 CD A:GLU119 4.9 33.9 1.0 O A:HOH553 4.9 58.8 1.0 O A:HOH497 5.0 32.5 1.0 C A:LEU106 5.0 37.8 1.0

S.Fudo, N.Yamamoto, M.Nukaga, T.Odagiri, M.Tashiro, T.Hoshino. Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit. Biochemistry V. 55 2646 2016.
ISSN: ISSN 0006-2960
PubMed: 27088785
DOI: 10.1021/ACS.BIOCHEM.5B01087