Manganese in PDB 6e6w: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 3-Hydroxy-6-(2-Methyl-4-(1H-Tetrazol-5-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-(1H-Tetrazol-5-Yl)Phenyl)-4- Oxo-1,4-Dihydropyridine-2-Carboxylic Acid, PDB code: 6e6w was solved by B.L.Dick, C.N.Morrison, 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)	44.05 / 2.35
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.920, 74.920, 120.010, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 27.1

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-(1H-Tetrazol-5-Yl)Phenyl)-4- Oxo-1,4-Dihydropyridine-2-Carboxylic Acid (pdb code 6e6w). 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-(1H-Tetrazol-5-Yl)Phenyl)-4- Oxo-1,4-Dihydropyridine-2-Carboxylic Acid, PDB code: 6e6w:
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-(1H-Tetrazol-5-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-(1H-Tetrazol-5-Yl)Phenyl)-4- Oxo-1,4-Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:41.1 occ:1.00 OE2 A:GLU80 1.9 44.5 1.0 OAV A:HWJ203 2.0 40.0 1.0 OD1 A:ASP108 2.1 38.1 1.0 OAT A:HWJ203 2.2 37.3 1.0 O A:HOH302 2.3 28.7 1.0 O A:HOH304 2.4 37.6 1.0 CAU A:HWJ203 2.9 42.8 1.0 CD A:GLU80 3.0 52.8 1.0 CAS A:HWJ203 3.1 36.5 1.0 CG A:ASP108 3.1 37.1 1.0 CAR A:HWJ203 3.3 41.6 1.0 OD2 A:ASP108 3.6 32.6 1.0 MN A:MN202 3.7 35.2 1.0 OE1 A:GLU80 3.9 72.1 1.0 CE1 A:HIS41 3.9 34.0 1.0 CG A:GLU80 3.9 52.1 1.0 OAW A:HWJ203 4.0 42.8 1.0 O A:LEU106 4.0 38.8 1.0 O A:HOH315 4.1 36.4 1.0 CB A:GLU80 4.2 45.2 1.0 O A:PRO107 4.2 28.4 1.0 OE1 A:GLU119 4.2 37.4 1.0 CB A:ASP108 4.3 33.1 1.0 CAO A:HWJ203 4.3 42.9 1.0 C A:PRO107 4.3 33.5 1.0 CA A:ASP108 4.3 38.2 1.0 OE2 A:GLU119 4.4 35.8 1.0 N A:ASP108 4.5 33.3 1.0 O A:HOH305 4.5 61.2 1.0 NE2 A:HIS41 4.6 36.8 1.0 NAQ A:HWJ203 4.6 43.3 1.0 CD A:GLU119 4.7 35.3 1.0 OAP A:HWJ203 4.8 36.6 1.0 ND1 A:HIS41 4.9 33.4 1.0 CA A:GLU80 4.9 45.4 1.0 O A:HOH311 5.0 66.2 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-(1H-Tetrazol-5-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-(1H-Tetrazol-5-Yl)Phenyl)-4- Oxo-1,4-Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:35.2 occ:1.00 OD2 A:ASP108 2.1 32.6 1.0 OE2 A:GLU119 2.1 35.8 1.0 OAP A:HWJ203 2.1 36.6 1.0 OAT A:HWJ203 2.1 37.3 1.0 O A:ILE120 2.2 30.5 1.0 NE2 A:HIS41 2.3 36.8 1.0 CAO A:HWJ203 2.8 42.9 1.0 CAS A:HWJ203 2.8 36.5 1.0 CE1 A:HIS41 2.9 34.0 1.0 CG A:ASP108 3.0 37.1 1.0 CD A:GLU119 3.1 35.3 1.0 OD1 A:ASP108 3.3 38.1 1.0 C A:ILE120 3.3 32.1 1.0 CD2 A:HIS41 3.5 33.2 1.0 OE1 A:GLU119 3.6 37.4 1.0 N A:ILE120 3.6 35.4 1.0 MN A:MN201 3.7 41.1 1.0 NZ A:LYS134 3.8 52.1 1.0 CA A:ILE120 3.9 35.9 1.0 ND1 A:HIS41 4.1 33.4 1.0 O A:HOH302 4.1 28.7 1.0 CAN A:HWJ203 4.1 42.3 1.0 O A:HOH303 4.1 33.3 1.0 CB A:ILE120 4.2 40.7 1.0 CAR A:HWJ203 4.2 41.6 1.0 CG A:GLU119 4.2 34.4 1.0 CE A:LYS134 4.4 47.0 1.0 CG A:HIS41 4.4 31.5 1.0 CB A:ASP108 4.4 33.1 1.0 N A:GLY121 4.4 29.3 1.0 O A:HOH305 4.5 61.2 1.0 OE2 A:GLU80 4.6 44.5 1.0 C A:GLU119 4.6 36.1 1.0 CA A:GLY121 4.7 29.9 1.0 OAV A:HWJ203 4.9 40.0 1.0 CA A:GLU119 4.9 36.4 1.0 CAU A:HWJ203 5.0 42.8 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.