Manganese in PDB 4awm: Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea

The structure of Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea, PDB code: 4awm was solved by E.Kowalinski, C.Zubieta, A.Wolkerstorfer, O.H.Szolar, R.W.Ruigrok, S.Cusack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.78 / 2.60
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.940, 99.940, 82.730, 90.00, 90.00, 120.00
R / Rfree (%)	22.31 / 27.84

The binding sites of Manganese atom in the Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea (pdb code 4awm). 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 Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea, PDB code: 4awm:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:27.6 occ:1.00 NE2 A:HIS41 2.0 28.8 1.0 O7 A:KDH911 2.1 34.0 1.0 OE2 A:GLU119 2.2 40.0 1.0 O1 A:KDH911 2.2 34.7 1.0 O A:ILE120 2.2 31.2 1.0 OD2 A:ASP108 2.4 29.2 1.0 C6 A:KDH911 2.8 36.6 1.0 C3 A:KDH911 2.9 36.6 1.0 CE1 A:HIS41 2.9 30.6 1.0 CD2 A:HIS41 3.0 29.2 1.0 CG A:ASP108 3.1 27.9 1.0 CD A:GLU119 3.1 38.8 1.0 OD1 A:ASP108 3.2 23.5 1.0 C A:ILE120 3.4 33.6 1.0 OE1 A:GLU119 3.4 39.2 1.0 MN A:MN902 3.7 32.8 1.0 N A:ILE120 3.9 33.5 1.0 O A:HOH2018 4.1 26.0 1.0 ND1 A:HIS41 4.1 31.4 1.0 O A:HOH2020 4.1 50.2 1.0 CA A:ILE120 4.1 31.9 1.0 CG A:HIS41 4.2 29.9 1.0 C9 A:KDH911 4.2 36.2 1.0 C4 A:KDH911 4.2 36.1 1.0 CB A:ILE120 4.4 32.4 1.0 NZ A:LYS134 4.4 50.1 1.0 CG A:GLU119 4.4 39.2 1.0 N A:GLY121 4.5 33.7 1.0 CE A:LYS134 4.5 50.1 1.0 CB A:ASP108 4.5 27.4 1.0 C A:GLU119 4.7 36.4 1.0 CA A:GLY121 4.7 33.7 1.0 OE2 A:GLU80 4.8 25.4 1.0 O10 A:KDH911 4.8 38.9 1.0 O A:HOH2013 5.0 32.7 1.0

Manganese binding site 2 out of 2 in the Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Influenza Strain PH1N1 2009 Polymerase Subunit Pa Endonuclease in Complex with (-)-Epigallocatechin Gallate From Green Tea within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn902 b:32.8 occ:1.00 O1 A:KDH911 1.9 34.7 1.0 OD1 A:ASP108 2.0 23.5 1.0 OE2 A:GLU80 2.1 25.4 1.0 O A:HOH2018 2.1 26.0 1.0 O A:HOH2013 2.2 32.7 1.0 O A:HOH2014 2.3 27.1 1.0 C3 A:KDH911 3.0 36.6 1.0 CD A:GLU80 3.2 27.6 1.0 C4 A:KDH911 3.2 36.1 1.0 CG A:ASP108 3.3 27.9 1.0 MN A:MN901 3.7 27.6 1.0 CE1 A:HIS41 3.8 30.6 1.0 OD2 A:ASP108 3.9 29.2 1.0 CG A:GLU80 4.0 29.1 1.0 OE1 A:GLU80 4.0 27.8 1.0 O A:PRO107 4.1 30.4 1.0 OE1 A:GLU119 4.1 39.2 1.0 NE2 A:HIS41 4.2 28.8 1.0 C6 A:KDH911 4.3 36.6 1.0 CB A:GLU80 4.3 29.2 1.0 O A:HOH2020 4.4 50.2 1.0 C A:PRO107 4.4 30.5 1.0 CB A:ASP108 4.4 27.4 1.0 O A:LEU106 4.5 31.4 1.0 CA A:ASP108 4.6 27.8 1.0 C14 A:KDH911 4.6 36.8 1.0 OE2 A:GLU119 4.6 40.0 1.0 N A:ASP108 4.7 28.9 1.0 O7 A:KDH911 4.8 34.0 1.0 CD A:GLU119 4.8 38.8 1.0 ND1 A:HIS41 4.9 31.4 1.0 CA A:GLU80 5.0 29.6 1.0

E.Kowalinski, C.Zubieta, A.Wolkerstorfer, O.H.Szolar, R.W.Ruigrok, S.Cusack. Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza PH1N1 (2009) Polymerase. Plos Pathog. V. 8 2831 2012.
ISSN: ISSN 1553-7366
PubMed: 22876177
DOI: 10.1371/JOURNAL.PPAT.1002831