Manganese in PDB 6e3n: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 3-Hydroxy-4-Oxo-6-(O-Tolyl)-1,4-Dihydropyridine-2- Carboxylic Acid

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 3-Hydroxy-4-Oxo-6-(O-Tolyl)-1,4-Dihydropyridine-2- Carboxylic Acid, PDB code: 6e3n 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)	37.24 / 3.19
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.481, 74.481, 119.189, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 28.5

The binding sites of Manganese atom in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 3-Hydroxy-4-Oxo-6-(O-Tolyl)-1,4-Dihydropyridine-2- Carboxylic Acid (pdb code 6e3n). 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 3-Hydroxy-4-Oxo-6-(O-Tolyl)-1,4-Dihydropyridine-2- Carboxylic Acid, PDB code: 6e3n:
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 3-Hydroxy-4-Oxo-6-(O-Tolyl)-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 3-Hydroxy-4-Oxo-6-(O-Tolyl)-1,4-Dihydropyridine-2- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:28.8 occ:1.00 OE2 A:GLU119 2.0 29.0 1.0 O A:ILE120 2.0 28.3 1.0 NE2 A:HIS41 2.1 34.6 1.0 OAC A:HNS903 2.1 35.7 1.0 OD2 A:ASP108 2.4 35.1 1.0 OAE A:HNS903 2.6 34.4 1.0 CE1 A:HIS41 2.7 35.6 1.0 CAR A:HNS903 2.9 38.2 1.0 OD1 A:ASP108 3.0 34.6 1.0 CG A:ASP108 3.0 34.0 1.0 CD A:GLU119 3.2 28.7 1.0 CAO A:HNS903 3.2 37.8 1.0 C A:ILE120 3.2 28.4 1.0 CD2 A:HIS41 3.3 33.3 1.0 N A:ILE120 3.8 29.4 1.0 NZ A:LYS134 3.8 40.7 1.0 OE1 A:GLU119 3.9 26.2 1.0 CA A:ILE120 3.9 29.5 1.0 ND1 A:HIS41 4.0 34.6 1.0 MN A:MN902 4.1 56.2 1.0 CB A:ILE120 4.2 30.9 1.0 CG A:GLU119 4.2 28.7 1.0 CAJ A:HNS903 4.2 39.0 1.0 N A:GLY121 4.3 26.9 1.0 CG A:HIS41 4.3 33.3 1.0 CB A:ASP108 4.4 32.8 1.0 CA A:GLY121 4.5 26.9 1.0 CE A:LYS134 4.5 41.5 1.0 CAQ A:HNS903 4.6 38.1 1.0 C A:GLU119 4.7 28.9 1.0 OE2 A:GLU80 4.8 36.4 1.0 SG A:CYS45 4.9 26.6 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 3-Hydroxy-4-Oxo-6-(O-Tolyl)-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 3-Hydroxy-4-Oxo-6-(O-Tolyl)-1,4-Dihydropyridine-2- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn902 b:56.2 occ:1.00 OE2 A:GLU80 1.8 36.4 1.0 OD1 A:ASP108 2.0 34.6 1.0 OAB A:HNS903 2.1 41.4 1.0 OAE A:HNS903 2.2 34.4 1.0 CD A:GLU80 3.0 37.3 1.0 CG A:ASP108 3.0 34.0 1.0 CAL A:HNS903 3.2 38.3 1.0 CAO A:HNS903 3.3 37.8 1.0 CAQ A:HNS903 3.6 38.1 1.0 OE1 A:GLU119 3.7 26.2 1.0 O A:LEU106 3.7 31.4 1.0 OD2 A:ASP108 3.8 35.1 1.0 OE1 A:GLU80 3.9 34.9 1.0 N A:ASP108 3.9 30.5 1.0 C A:PRO107 3.9 30.2 1.0 CA A:ASP108 4.0 32.6 1.0 CB A:ASP108 4.0 32.8 1.0 CG A:GLU80 4.0 38.5 1.0 OE2 A:GLU119 4.0 29.0 1.0 O A:PRO107 4.0 28.9 1.0 MN A:MN901 4.1 28.8 1.0 CB A:GLU80 4.1 39.7 1.0 OAD A:HNS903 4.2 36.5 1.0 CE1 A:HIS41 4.2 35.6 1.0 CD A:GLU119 4.3 28.7 1.0 CA A:PRO107 4.5 31.8 1.0 CAR A:HNS903 4.5 38.2 1.0 C A:LEU106 4.7 31.4 1.0 CA A:GLU80 4.9 38.0 1.0 OAC A:HNS903 4.9 35.7 1.0 NE2 A:HIS41 4.9 34.6 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.