Manganese in PDB 7k0w: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid, PDB code: 7k0w was solved by G.Kumar, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.86 / 2.09
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.718, 89.718, 133.763, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24.9

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Manganese atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid (pdb code 7k0w). 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 Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid, PDB code: 7k0w:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:37.4 occ:1.00 O1 A:E4Z201 2.0 40.3 1.0 OD2 A:ASP108 2.1 33.8 1.0 OE1 A:GLU119 2.1 37.7 1.0 O A:ILE120 2.2 43.7 1.0 NE2 A:HIS41 2.2 35.8 1.0 O2 A:E4Z201 2.3 44.5 1.0 CE1 A:HIS41 2.8 35.6 1.0 C1 A:E4Z201 2.8 41.5 1.0 C5 A:E4Z201 3.0 36.8 1.0 CG A:ASP108 3.0 48.4 1.0 CD A:GLU119 3.2 43.6 1.0 OD1 A:ASP108 3.3 41.8 1.0 CD2 A:HIS41 3.3 30.3 1.0 C A:ILE120 3.4 36.6 1.0 N A:ILE120 3.8 33.3 1.0 OE2 A:GLU119 3.8 40.0 1.0 MN A:MN203 3.8 49.0 1.0 NZ A:LYS134 3.9 43.7 1.0 ND1 A:HIS41 4.0 36.4 1.0 O A:HOH301 4.0 40.3 1.0 CA A:ILE120 4.1 36.2 1.0 C2 A:E4Z201 4.2 46.2 1.0 CG A:HIS41 4.3 38.8 1.0 CG A:GLU119 4.3 39.5 1.0 C4 A:E4Z201 4.3 39.7 1.0 O A:HOH317 4.3 40.4 1.0 CB A:ASP108 4.4 38.0 1.0 N A:GLY121 4.4 45.2 1.0 CB A:ILE120 4.5 38.1 1.0 C A:GLU119 4.7 44.0 1.0 CA A:GLY121 4.7 33.5 1.0 O3 A:E4Z201 4.9 42.3 1.0 CE A:LYS134 4.9 58.6 1.0 CG2 A:ILE120 5.0 32.7 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:49.0 occ:1.00 O3 A:E4Z201 1.9 42.3 1.0 O2 A:E4Z201 2.1 44.5 1.0 OD1 A:ASP108 2.2 41.8 1.0 O A:HOH302 2.3 38.2 1.0 OE1 A:GLU80 2.3 44.4 1.0 O A:HOH301 2.4 40.3 1.0 C6 A:E4Z201 2.9 39.2 1.0 C5 A:E4Z201 3.1 36.8 1.0 CG A:ASP108 3.2 48.4 1.0 C4 A:E4Z201 3.5 39.7 1.0 CD A:GLU80 3.5 52.1 1.0 OD2 A:ASP108 3.7 33.8 1.0 CE1 A:HIS41 3.8 35.6 1.0 MN A:MN202 3.8 37.4 1.0 O A:PRO107 4.0 44.3 1.0 N3 A:E4Z201 4.2 40.8 1.0 OE2 A:GLU80 4.4 71.0 1.0 CB A:ASP108 4.4 38.0 1.0 C1 A:E4Z201 4.4 41.5 1.0 CG A:GLU80 4.4 51.3 1.0 CB A:GLU80 4.4 39.2 1.0 OE1 A:GLU119 4.4 37.7 1.0 O A:LEU106 4.4 42.7 1.0 C A:PRO107 4.5 46.6 1.0 CA A:ASP108 4.5 42.7 1.0 OE2 A:GLU119 4.5 40.0 1.0 C10 A:E4Z201 4.6 43.8 1.0 NE2 A:HIS41 4.6 35.8 1.0 O A:HOH322 4.6 51.1 1.0 N A:ASP108 4.7 41.9 1.0 ND1 A:HIS41 4.7 36.4 1.0 O1 A:E4Z201 4.8 40.3 1.0 N1 A:E4Z201 4.8 42.5 1.0 CD A:GLU119 5.0 43.6 1.0

G.Kumar, S.W.White. Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Baloxavir Acid To Be Published.