Manganese in PDB 6e3m: The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-Carboxyphenyl)-3-Hydroxy-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 6-(3-Carboxyphenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid, PDB code: 6e3m 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)	44.35 / 2.65
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.459, 75.459, 120.567, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 26.4

The binding sites of Manganese atom in the The N-Terminal Domain of Pa Endonuclease From the Influenza H1N1 Virus in Complex with 6-(3-Carboxyphenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid (pdb code 6e3m). 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 6-(3-Carboxyphenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid, PDB code: 6e3m:
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 6-(3-Carboxyphenyl)-3-Hydroxy-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 6-(3-Carboxyphenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn901 b:51.5 occ:1.00 OAE A:HOG904 1.9 72.0 1.0 OE2 A:GLU119 2.0 42.5 1.0 O A:ILE120 2.2 45.5 1.0 NE2 A:HIS41 2.2 43.8 1.0 OAF A:HOG904 2.2 67.0 1.0 OD2 A:ASP108 2.3 46.4 1.0 CAO A:HOG904 2.7 84.0 1.0 CAS A:HOG904 2.9 78.4 1.0 CE1 A:HIS41 3.0 41.2 1.0 CG A:ASP108 3.1 48.1 1.0 OD1 A:ASP108 3.2 52.2 1.0 CD A:GLU119 3.2 46.5 1.0 C A:ILE120 3.3 49.5 1.0 CD2 A:HIS41 3.3 40.6 1.0 MN A:MN902 3.8 72.2 1.0 N A:ILE120 3.9 43.4 1.0 OE1 A:GLU119 4.0 48.5 1.0 CA A:ILE120 4.0 49.4 1.0 O A:HOH1001 4.0 53.4 1.0 CAJ A:HOG904 4.1 94.4 1.0 NZ A:LYS134 4.1 66.3 1.0 ND1 A:HIS41 4.1 46.5 1.0 O A:HOH1006 4.2 48.1 1.0 CG A:GLU119 4.2 45.3 1.0 CB A:ILE120 4.2 49.8 1.0 CAT A:HOG904 4.3 87.8 1.0 CG A:HIS41 4.3 41.2 1.0 N A:GLY121 4.4 43.5 1.0 CB A:ASP108 4.5 46.5 1.0 OE2 A:GLU80 4.7 69.2 1.0 C A:GLU119 4.8 43.1 1.0 CA A:GLY121 4.8 43.1 1.0 CE A:LYS134 4.9 64.5 1.0 SG A:CYS45 4.9 48.6 1.0 OAB A:HOG904 5.0 84.5 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 6-(3-Carboxyphenyl)-3-Hydroxy-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 6-(3-Carboxyphenyl)-3-Hydroxy-4-Oxo-1,4- Dihydropyridine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn902 b:72.2 occ:1.00 OAB A:HOG904 1.8 84.5 1.0 OAF A:HOG904 1.9 67.0 1.0 OE2 A:GLU80 1.9 69.2 1.0 OD1 A:ASP108 2.2 52.2 1.0 O A:HOH1004 2.4 50.9 1.0 O A:HOH1001 2.4 53.4 1.0 CAN A:HOG904 2.7 87.4 1.0 CAS A:HOG904 2.9 78.4 1.0 CAT A:HOG904 3.1 87.8 1.0 CD A:GLU80 3.2 63.2 1.0 CG A:ASP108 3.3 48.1 1.0 OAD A:HOG904 3.8 86.3 1.0 MN A:MN901 3.8 51.5 1.0 OD2 A:ASP108 3.9 46.4 1.0 CE1 A:HIS41 3.9 41.2 1.0 OE1 A:GLU80 4.0 69.5 1.0 O A:PRO107 4.0 46.6 1.0 O A:LEU106 4.0 51.7 1.0 CG A:GLU80 4.1 64.4 1.0 CAO A:HOG904 4.1 84.0 1.0 C A:PRO107 4.2 45.6 1.0 OE2 A:GLU119 4.2 42.5 1.0 CB A:GLU80 4.2 62.0 1.0 O A:HOH1010 4.3 65.8 1.0 CA A:ASP108 4.3 49.0 1.0 OE1 A:GLU119 4.3 48.5 1.0 N A:ASP108 4.3 46.5 1.0 CB A:ASP108 4.4 46.5 1.0 NAL A:HOG904 4.4 96.0 1.0 NE2 A:HIS41 4.5 43.8 1.0 OAE A:HOG904 4.6 72.0 1.0 CD A:GLU119 4.7 46.5 1.0 CA A:GLU80 4.8 55.7 1.0 CA A:PRO107 4.9 43.5 1.0 C A:LEU106 5.0 48.9 1.0 O A:HOH1023 5.0 59.4 1.0 ND1 A:HIS41 5.0 46.5 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.