Manganese in PDB 6e3p: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid, PDB code: 6e3p was solved by C.N.Morrison, B.L.Dick, C.V.Credille, S.M.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.25 / 2.80
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.950, 74.950, 120.759, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 30.1

The binding sites of Manganese atom in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid (pdb code 6e3p). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid, PDB code: 6e3p:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:22.9 occ:1.00 NE2 A:HIS41 2.2 27.3 1.0 OAB A:HO1903 2.2 41.1 1.0 OD2 A:ASP108 2.2 28.8 1.0 O A:ILE120 2.2 25.0 1.0 OAD A:HO1903 2.2 40.2 1.0 OE2 A:GLU119 2.3 25.5 1.0 CAV A:HO1903 2.9 46.0 1.0 CE1 A:HIS41 2.9 27.8 1.0 CG A:ASP108 3.0 29.1 1.0 CAS A:HO1903 3.0 46.9 1.0 OD1 A:ASP108 3.1 30.2 1.0 CD A:GLU119 3.3 25.8 1.0 CD2 A:HIS41 3.3 26.5 1.0 C A:ILE120 3.3 24.6 1.0 N A:ILE120 3.7 26.4 1.0 OE1 A:GLU119 3.8 26.2 1.0 MN A:MN902 3.8 46.8 1.0 CA A:ILE120 4.0 25.6 1.0 NZ A:LYS134 4.0 51.4 1.0 ND1 A:HIS41 4.1 29.1 1.0 CB A:ILE120 4.1 25.9 1.0 CAI A:HO1903 4.3 47.9 1.0 CG A:HIS41 4.3 26.8 1.0 O A:HOH1004 4.3 26.9 1.0 CAU A:HO1903 4.4 47.7 1.0 CB A:ASP108 4.4 31.7 1.0 CG A:GLU119 4.5 26.6 1.0 N A:GLY121 4.5 22.0 1.0 OE2 A:GLU80 4.7 41.0 1.0 C A:GLU119 4.7 27.1 1.0 OAC A:HO1903 4.8 54.1 1.0 CE A:LYS134 4.8 47.5 1.0 CA A:GLY121 4.9 21.4 1.0 CG2 A:ILE120 5.0 27.3 1.0

Manganese binding site 2 out of 2 in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-(1H-Tetrazol-5-Yl)Phenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn902 b:46.8 occ:1.00 OAC A:HO1903 1.7 54.1 1.0 OE2 A:GLU80 2.0 41.0 1.0 OAD A:HO1903 2.1 40.2 1.0 OD1 A:ASP108 2.1 30.2 1.0 CAO A:HO1903 2.9 48.5 1.0 CAS A:HO1903 3.1 46.9 1.0 CD A:GLU80 3.1 40.0 1.0 CG A:ASP108 3.2 29.1 1.0 CAU A:HO1903 3.4 47.7 1.0 OE1 A:GLU80 3.8 42.1 1.0 MN A:MN901 3.8 22.9 1.0 OD2 A:ASP108 3.9 28.8 1.0 OAA A:HO1903 3.9 45.4 1.0 CE1 A:HIS41 4.0 27.8 1.0 O A:LEU106 4.0 41.0 1.0 O A:PRO107 4.0 29.2 1.0 OE1 A:GLU119 4.2 26.2 1.0 C A:PRO107 4.2 30.9 1.0 CG A:GLU80 4.2 40.5 1.0 CB A:ASP108 4.3 31.7 1.0 CA A:ASP108 4.4 32.8 1.0 CAV A:HO1903 4.4 46.0 1.0 CB A:GLU80 4.5 40.6 1.0 N A:ASP108 4.5 30.9 1.0 OE2 A:GLU119 4.6 25.5 1.0 NE2 A:HIS41 4.6 27.3 1.0 NAN A:HO1903 4.8 46.9 1.0 CD A:GLU119 4.8 25.8 1.0 CA A:PRO107 4.8 32.9 1.0 OAB A:HO1903 4.8 41.1 1.0 C A:LEU106 4.9 34.4 1.0 ND1 A:HIS41 5.0 29.1 1.0

C.V.Credille, C.N.Morrison, B.L.Dick, R.W.Stokes, S.M.Cohen. Development and Evaluation of Subnanomolar Inhibitors of Pa Endonuclease To Be Published.