Manganese in PDB 6e4c: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 3-Hydroxy-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-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 3-Hydroxy-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-4-Oxo-1,4-Dihydropyridine-2-Carboxylic Acid, PDB code: 6e4c 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)	44.28 / 2.35
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.164, 75.164, 120.628, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 26

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-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-4-Oxo-1,4-Dihydropyridine-2-Carboxylic Acid (pdb code 6e4c). 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-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-4-Oxo-1,4-Dihydropyridine-2-Carboxylic Acid, PDB code: 6e4c:
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-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-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 3-Hydroxy-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-4-Oxo-1,4-Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:41.5 occ:1.00 OAF A:HRJ903 2.1 45.8 1.0 OD2 A:ASP108 2.2 44.8 1.0 OE2 A:GLU119 2.2 41.8 1.0 OAC A:HRJ903 2.2 46.7 1.0 O A:ILE120 2.2 38.8 1.0 NE2 A:HIS41 2.3 39.5 1.0 CAW A:HRJ903 2.8 51.1 1.0 CAT A:HRJ903 2.8 44.4 1.0 CE1 A:HIS41 3.0 35.8 1.0 CG A:ASP108 3.0 47.2 1.0 CD A:GLU119 3.2 42.0 1.0 OD1 A:ASP108 3.3 45.8 1.0 CD2 A:HIS41 3.4 39.1 1.0 C A:ILE120 3.4 39.8 1.0 MN A:MN902 3.6 55.1 1.0 OE1 A:GLU119 3.7 46.0 1.0 N A:ILE120 3.8 40.7 1.0 NZ A:LYS134 3.9 53.5 1.0 CA A:ILE120 4.0 40.7 1.0 O A:HOH1004 4.1 35.6 1.0 CAV A:HRJ903 4.1 48.9 1.0 ND1 A:HIS41 4.1 37.2 1.0 CAJ A:HRJ903 4.2 47.8 1.0 O A:HOH1002 4.2 38.8 1.0 CB A:ILE120 4.3 43.9 1.0 CG A:HIS41 4.4 37.1 1.0 CG A:GLU119 4.4 43.4 1.0 CB A:ASP108 4.4 42.8 1.0 N A:GLY121 4.5 38.3 1.0 CE A:LYS134 4.7 53.0 1.0 OAB A:HRJ903 4.7 58.4 1.0 C A:GLU119 4.7 40.6 1.0 OE2 A:GLU80 4.8 45.0 1.0 CA A:GLY121 4.8 42.0 1.0 CAO A:HRJ903 4.9 51.1 1.0 SG A:CYS45 5.0 43.7 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-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-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 3-Hydroxy-6-(2-Methyl-4-(5-Oxo-4,5-Dihydro-1,2,4- Oxadiazol-3-Yl)Phenyl)-4-Oxo-1,4-Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn902 b:55.1 occ:1.00 OAB A:HRJ903 1.9 58.4 1.0 OD1 A:ASP108 2.1 45.8 1.0 OE2 A:GLU80 2.1 45.0 1.0 OAF A:HRJ903 2.2 45.8 1.0 O A:HOH1002 2.4 38.8 1.0 O A:HOH1010 2.5 48.4 1.0 CAO A:HRJ903 2.9 51.1 1.0 CG A:ASP108 3.1 47.2 1.0 CAT A:HRJ903 3.1 44.4 1.0 CD A:GLU80 3.2 45.3 1.0 CAV A:HRJ903 3.3 48.9 1.0 OD2 A:ASP108 3.6 44.8 1.0 MN A:MN901 3.6 41.5 1.0 CE1 A:HIS41 3.9 35.8 1.0 OAE A:HRJ903 3.9 49.1 1.0 CG A:GLU80 3.9 47.5 1.0 O A:HOH1030 4.1 52.2 1.0 O A:LEU106 4.1 43.0 1.0 CB A:GLU80 4.1 44.5 1.0 OE1 A:GLU80 4.1 55.1 1.0 O A:PRO107 4.2 34.8 1.0 OE1 A:GLU119 4.2 46.0 1.0 CA A:ASP108 4.3 46.1 1.0 CB A:ASP108 4.3 42.8 1.0 C A:PRO107 4.3 37.3 1.0 CAW A:HRJ903 4.4 51.1 1.0 N A:ASP108 4.4 40.4 1.0 OE2 A:GLU119 4.4 41.8 1.0 NE2 A:HIS41 4.5 39.5 1.0 NAL A:HRJ903 4.7 47.0 1.0 CD A:GLU119 4.8 42.0 1.0 OAC A:HRJ903 4.8 46.7 1.0 CA A:GLU80 4.9 45.8 1.0 ND1 A:HIS41 4.9 37.2 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.