Manganese in PDB 7n55: The Crystal Structure of the Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514

The structure of The Crystal Structure of the Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514, PDB code: 7n55 was solved by M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.33
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.635, 89.635, 133.761, 90, 90, 90
R / Rfree (%)	22.6 / 26.8

The binding sites of Manganese atom in the The Crystal Structure of the Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514 (pdb code 7n55). 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 Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514, PDB code: 7n55:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514


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 Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:58.1 occ:1.00 O13 A:09Y207 1.9 74.4 1.0 O A:ILE120 2.1 73.5 1.0 OD2 A:ASP108 2.1 51.0 1.0 O15 A:09Y207 2.3 57.8 1.0 OE2 A:GLU119 2.3 63.6 1.0 NE2 A:HIS41 2.3 67.9 1.0 C12 A:09Y207 2.7 65.0 1.0 C14 A:09Y207 2.8 70.0 1.0 CE1 A:HIS41 3.0 58.0 1.0 CG A:ASP108 3.0 62.7 1.0 C A:ILE120 3.2 68.1 1.0 OD1 A:ASP108 3.2 60.4 1.0 CD A:GLU119 3.2 68.4 1.0 CD2 A:HIS41 3.4 61.8 1.0 N A:ILE120 3.6 54.9 1.0 OE1 A:GLU119 3.7 62.5 1.0 MN A:MN202 3.7 69.2 1.0 CA A:ILE120 3.8 52.1 1.0 O A:HOH302 3.9 53.1 1.0 C11 A:09Y207 4.1 81.3 1.0 ND1 A:HIS41 4.2 55.2 1.0 CB A:ILE120 4.2 67.5 1.0 N16 A:09Y207 4.3 68.0 1.0 N A:GLY121 4.3 70.4 1.0 CG A:HIS41 4.4 61.9 1.0 CG A:GLU119 4.4 57.9 1.0 CB A:ASP108 4.4 59.6 1.0 C A:GLU119 4.5 68.2 1.0 O10 A:09Y207 4.5 79.5 1.0 CA A:GLY121 4.6 64.6 1.0 C09 A:09Y207 4.8 69.2 1.0 O A:HOH306 4.9 64.7 1.0 CA A:GLU119 4.9 60.3 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514


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 Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:69.2 occ:1.00 O10 A:09Y207 1.8 79.5 1.0 O A:HOH303 2.2 56.3 1.0 OD1 A:ASP108 2.2 60.4 1.0 O A:HOH302 2.3 53.1 1.0 O13 A:09Y207 2.3 74.4 1.0 OE1 A:GLU80 2.5 58.9 1.0 C09 A:09Y207 2.7 69.2 1.0 CG A:ASP108 3.2 62.7 1.0 C12 A:09Y207 3.2 65.0 1.0 C11 A:09Y207 3.4 81.3 1.0 OD2 A:ASP108 3.6 51.0 1.0 CD A:GLU80 3.6 72.2 1.0 CE1 A:HIS41 3.7 58.0 1.0 MN A:MN201 3.7 58.1 1.0 N08 A:09Y207 3.8 86.2 1.0 O A:PRO107 4.1 55.2 1.0 C07 A:09Y207 4.1 104.9 1.0 O A:LEU106 4.2 63.2 1.0 CG A:GLU80 4.2 61.8 1.0 CB A:GLU80 4.3 48.2 1.0 CB A:ASP108 4.3 59.6 1.0 CA A:ASP108 4.3 58.8 1.0 C A:PRO107 4.3 63.6 1.0 NE2 A:HIS41 4.4 67.9 1.0 OE1 A:GLU119 4.4 62.5 1.0 N A:ASP108 4.5 53.0 1.0 C14 A:09Y207 4.6 70.0 1.0 OE2 A:GLU80 4.7 85.6 1.0 ND1 A:HIS41 4.7 55.2 1.0 OE2 A:GLU119 4.7 63.6 1.0 N18 A:09Y207 4.8 85.8 1.0 CA A:GLU80 5.0 59.7 1.0

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the Mutant I38T Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988514 To Be Published.