Manganese in PDB 6e6v: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 3-Hydroxy-6-Methyl-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-Methyl-4-Oxo-1,4-Dihydropyridine-2- Carboxylic Acid, PDB code: 6e6v 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)	44.24 / 2.25
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.510, 75.510, 120.160, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 25.7

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-Methyl-4-Oxo-1,4-Dihydropyridine-2- Carboxylic Acid (pdb code 6e6v). 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-Methyl-4-Oxo-1,4-Dihydropyridine-2- Carboxylic Acid, PDB code: 6e6v:
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-Methyl-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-Methyl-4-Oxo-1,4-Dihydropyridine-2- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:40.9 occ:1.00 OAK A:HWA203 1.9 39.5 1.0 OE2 A:GLU80 2.0 43.2 1.0 OAJ A:HWA203 2.0 37.2 1.0 OD1 A:ASP108 2.1 39.6 1.0 O A:HOH301 2.3 32.8 1.0 O A:HOH307 2.4 39.8 1.0 CAE A:HWA203 2.8 46.2 1.0 CAI A:HWA203 3.0 37.8 1.0 CG A:ASP108 3.1 40.6 1.0 CD A:GLU80 3.2 44.5 1.0 CAD A:HWA203 3.2 39.9 1.0 OD2 A:ASP108 3.6 42.5 1.0 MN A:MN202 3.7 37.0 1.0 OAF A:HWA203 3.9 47.6 1.0 CG A:GLU80 4.0 42.6 1.0 CE1 A:HIS41 4.0 33.8 1.0 OE1 A:GLU80 4.0 49.9 1.0 O A:LEU106 4.1 39.3 1.0 O A:PRO107 4.2 29.1 1.0 CB A:GLU80 4.2 40.3 1.0 C1 A:EDO204 4.3 57.5 1.0 CB A:ASP108 4.3 38.2 1.0 OE1 A:GLU119 4.3 36.1 1.0 CA A:ASP108 4.3 38.1 1.0 C A:PRO107 4.3 34.7 1.0 OE2 A:GLU119 4.3 38.5 1.0 CAH A:HWA203 4.3 40.6 1.0 N A:ASP108 4.5 36.1 1.0 NAC A:HWA203 4.7 38.2 1.0 NE2 A:HIS41 4.7 35.2 1.0 CD A:GLU119 4.7 39.5 1.0 O2 A:EDO204 4.8 57.7 1.0 OAL A:HWA203 4.8 40.7 1.0 O1 A:EDO204 4.8 58.7 1.0 CA A:GLU80 5.0 41.2 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-Methyl-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-Methyl-4-Oxo-1,4-Dihydropyridine-2- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:37.0 occ:1.00 OAJ A:HWA203 2.1 37.2 1.0 OD2 A:ASP108 2.1 42.5 1.0 OE2 A:GLU119 2.1 38.5 1.0 O A:ILE120 2.2 36.2 1.0 OAL A:HWA203 2.2 40.7 1.0 NE2 A:HIS41 2.3 35.2 1.0 CAH A:HWA203 2.8 40.6 1.0 CAI A:HWA203 2.8 37.8 1.0 CE1 A:HIS41 2.9 33.8 1.0 CG A:ASP108 3.0 40.6 1.0 OD1 A:ASP108 3.2 39.6 1.0 CD A:GLU119 3.2 39.5 1.0 C A:ILE120 3.3 38.0 1.0 CD2 A:HIS41 3.5 35.3 1.0 MN A:MN201 3.7 40.9 1.0 N A:ILE120 3.8 35.5 1.0 OE1 A:GLU119 3.8 36.1 1.0 NZ A:LYS134 3.9 48.0 1.0 CA A:ILE120 4.0 35.0 1.0 ND1 A:HIS41 4.1 34.3 1.0 CAD A:HWA203 4.2 39.9 1.0 CAG A:HWA203 4.2 37.9 1.0 CB A:ILE120 4.2 41.1 1.0 O A:HOH301 4.2 32.8 1.0 O A:HOH306 4.3 31.7 1.0 CG A:GLU119 4.3 40.1 1.0 CB A:ASP108 4.4 38.2 1.0 N A:GLY121 4.4 35.3 1.0 CG A:HIS41 4.4 33.9 1.0 CE A:LYS134 4.6 45.6 1.0 OE2 A:GLU80 4.6 43.2 1.0 C A:GLU119 4.8 37.1 1.0 CA A:GLY121 4.8 33.7 1.0 CG2 A:ILE120 4.9 37.1 1.0 OAK A:HWA203 4.9 39.5 1.0 O A:HOH313 5.0 50.7 1.0 CAE A:HWA203 5.0 46.2 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.