Manganese in PDB 7k87: The Crystal Structure of the 2009 H1N1 Pa Endonuclease in Complex with SJ000986436

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease in Complex with SJ000986436, PDB code: 7k87 was solved by M.G.Cuypers, P.J.Slavish, S.Jayaraman, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.75 / 2.70
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.502, 89.502, 132.791, 90, 90, 90
R / Rfree (%)	20.5 / 23.9

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease in Complex with SJ000986436 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 Pa Endonuclease in Complex with SJ000986436 (pdb code 7k87). 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 Pa Endonuclease in Complex with SJ000986436, PDB code: 7k87:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease in Complex with SJ000986436


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 Pa Endonuclease in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:50.1 occ:1.00 O15 A:W5V404 1.9 60.7 1.0 O13 A:W5V404 2.0 68.8 1.0 OE2 A:GLU119 2.1 61.1 1.0 O A:ILE120 2.1 55.2 1.0 NE2 A:HIS41 2.3 52.1 1.0 OD2 A:ASP108 2.4 51.0 1.0 C14 A:W5V404 2.5 62.3 1.0 C12 A:W5V404 2.5 63.6 1.0 CD A:GLU119 3.1 56.0 1.0 CG A:ASP108 3.1 51.9 1.0 OD1 A:ASP108 3.1 57.6 1.0 CE1 A:HIS41 3.2 56.5 1.0 C A:ILE120 3.2 51.2 1.0 CD2 A:HIS41 3.3 51.8 1.0 OE1 A:GLU119 3.5 54.4 1.0 N A:ILE120 3.6 50.8 1.0 MN A:MN403 3.8 61.9 1.0 N16 A:W5V404 3.8 66.4 1.0 CA A:ILE120 3.9 50.4 1.0 C11 A:W5V404 4.0 69.6 1.0 N A:GLY121 4.3 53.5 1.0 ND1 A:HIS41 4.3 54.8 1.0 CG A:HIS41 4.4 47.2 1.0 CG A:GLU119 4.4 55.3 1.0 CB A:ILE120 4.4 48.8 1.0 O10 A:W5V404 4.4 70.3 1.0 C A:GLU119 4.5 52.2 1.0 CB A:ASP108 4.5 51.8 1.0 CA A:GLY121 4.5 59.9 1.0 CE A:LYS134 4.7 80.1 1.0 C09 A:W5V404 4.8 69.1 1.0 CG2 A:ILE120 4.8 48.6 1.0 O A:HOH504 4.8 56.5 1.0 NZ A:LYS134 4.8 75.5 1.0 C17 A:W5V404 4.9 72.7 1.0 CA A:GLU119 4.9 52.6 1.0 N18 A:W5V404 4.9 74.3 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease in Complex with SJ000986436


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 Pa Endonuclease in Complex with SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:61.9 occ:1.00 O10 A:W5V404 1.6 70.3 1.0 OD1 A:ASP108 2.0 57.6 1.0 O13 A:W5V404 2.3 68.8 1.0 OE1 A:GLU80 2.4 66.9 1.0 C09 A:W5V404 2.5 69.1 1.0 O A:HOH501 2.8 53.4 1.0 C12 A:W5V404 3.0 63.6 1.0 C11 A:W5V404 3.1 69.6 1.0 CG A:ASP108 3.2 51.9 1.0 CD A:GLU80 3.4 60.4 1.0 CE1 A:HIS41 3.5 56.5 1.0 N08 A:W5V404 3.6 73.5 1.0 MN A:MN402 3.8 50.1 1.0 OD2 A:ASP108 3.9 51.0 1.0 NE2 A:HIS41 4.1 52.1 1.0 CG A:GLU80 4.2 51.1 1.0 OE2 A:GLU80 4.2 75.3 1.0 CB A:GLU80 4.3 47.4 1.0 OE1 A:GLU119 4.3 54.4 1.0 C14 A:W5V404 4.3 62.3 1.0 O A:PRO107 4.3 50.3 1.0 CB A:ASP108 4.3 51.8 1.0 N18 A:W5V404 4.4 74.3 1.0 O A:LEU106 4.4 56.4 1.0 CA A:ASP108 4.5 51.5 1.0 C A:PRO107 4.5 52.8 1.0 ND1 A:HIS41 4.5 54.8 1.0 N A:ASP108 4.6 51.9 1.0 OE2 A:GLU119 4.7 61.1 1.0 O15 A:W5V404 4.8 60.7 1.0 C07 A:W5V404 4.8 89.0 1.0 CA A:GLU80 4.9 49.7 1.0 CD A:GLU119 5.0 56.0 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000988569 To Be Published.