Manganese in PDB 6e6x: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One

The structure of The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One, PDB code: 6e6x 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)	44.29 / 2.50
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.340, 75.340, 120.610, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 26.5

The binding sites of Manganese atom in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One (pdb code 6e6x). 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 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One, PDB code: 6e6x:
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 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One


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 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:33.8 occ:1.00 OAO A:HWM203 2.1 35.3 1.0 O A:ILE120 2.1 34.9 1.0 OAT A:HWM203 2.1 37.0 1.0 OE2 A:GLU119 2.1 36.6 1.0 OD2 A:ASP108 2.2 29.5 1.0 NE2 A:HIS41 2.4 31.9 1.0 CAS A:HWM203 2.9 38.4 1.0 CAN A:HWM203 2.9 37.0 1.0 CG A:ASP108 3.0 33.9 1.0 CE1 A:HIS41 3.0 26.7 1.0 CD A:GLU119 3.1 34.1 1.0 OD1 A:ASP108 3.2 33.5 1.0 C A:ILE120 3.3 33.4 1.0 CD2 A:HIS41 3.5 28.4 1.0 OE1 A:GLU119 3.6 31.5 1.0 N A:ILE120 3.7 33.6 1.0 MN A:MN202 3.8 38.8 1.0 NZ A:LYS134 3.9 41.6 1.0 CA A:ILE120 3.9 37.3 1.0 O A:HOH301 4.1 30.3 1.0 O A:HOH307 4.1 52.5 1.0 CB A:ILE120 4.1 38.4 1.0 ND1 A:HIS41 4.2 28.2 1.0 CAR A:HWM203 4.2 34.7 1.0 CAM A:HWM203 4.2 34.8 1.0 O A:HOH303 4.2 35.9 1.0 CG A:GLU119 4.3 32.5 1.0 CG A:HIS41 4.4 25.8 1.0 N A:GLY121 4.4 27.2 1.0 CB A:ASP108 4.4 33.9 1.0 CE A:LYS134 4.5 43.4 1.0 C A:GLU119 4.7 33.2 1.0 CA A:GLY121 4.8 25.9 1.0 OE2 A:GLU80 4.8 42.2 1.0 CG2 A:ILE120 4.8 38.6 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 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One


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 1-(4-(1H-Tetrazol-5-Yl)Phenyl)-5-Hydroxy-2- Methylpyridin-4(1H)-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:38.8 occ:1.00 OE2 A:GLU80 2.0 42.2 1.0 O A:HOH306 2.0 26.0 1.0 OD1 A:ASP108 2.1 33.5 1.0 O A:HOH301 2.2 30.3 1.0 OAT A:HWM203 2.3 37.0 1.0 O A:HOH305 2.4 36.5 1.0 CD A:GLU80 3.1 47.5 1.0 CG A:ASP108 3.1 33.9 1.0 CAS A:HWM203 3.2 38.4 1.0 CAR A:HWM203 3.5 34.7 1.0 OD2 A:ASP108 3.7 29.5 1.0 MN A:MN201 3.8 33.8 1.0 CE1 A:HIS41 3.9 26.7 1.0 CG A:GLU80 4.0 46.7 1.0 O A:HOH304 4.0 50.1 1.0 OE1 A:GLU80 4.0 47.1 1.0 CB A:GLU80 4.1 43.8 1.0 OE1 A:GLU119 4.2 31.5 1.0 CB A:ASP108 4.3 33.9 1.0 O A:PRO107 4.3 31.6 1.0 O2 A:EDO204 4.3 58.3 1.0 CA A:ASP108 4.3 37.8 1.0 O A:LEU106 4.3 44.1 1.0 C A:PRO107 4.3 35.6 1.0 N A:ASP108 4.4 35.1 1.0 O A:HOH307 4.4 52.5 1.0 C1 A:EDO204 4.5 64.6 1.0 CAN A:HWM203 4.5 37.0 1.0 OE2 A:GLU119 4.6 36.6 1.0 NE2 A:HIS41 4.6 31.9 1.0 CA A:GLU80 4.8 40.6 1.0 CD A:GLU119 4.8 34.1 1.0 CAQ A:HWM203 4.8 37.9 1.0 OAO A:HWM203 4.9 35.3 1.0 ND1 A:HIS41 4.9 28.2 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.