Manganese in PDB 8edz: The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319, PDB code: 8edz was solved by M.G.Cuypers, J.P.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)	31.71 / 2.65
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.688, 89.688, 132.251, 90, 90, 90
R / Rfree (%)	21.2 / 27.2

The binding sites of Manganese atom in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319 (pdb code 8edz). 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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319, PDB code: 8edz:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:71.1 occ:1.00 O24 A:WFW201 1.9 74.8 1.0 OD1 A:ASP108 2.1 67.3 1.0 O A:HOH302 2.1 61.0 1.0 OE2 A:GLU80 2.2 79.8 1.0 O19 A:WFW201 2.6 76.1 1.0 O A:HOH301 2.6 74.7 1.0 C23 A:WFW201 2.8 78.3 1.0 CD A:GLU80 2.8 77.0 1.0 CG A:ASP108 3.2 63.7 1.0 OE1 A:GLU80 3.4 88.2 1.0 C18 A:WFW201 3.4 74.4 1.0 C17 A:WFW201 3.5 78.9 1.0 CE1 A:HIS41 3.6 65.8 1.0 CG A:GLU80 3.7 69.1 1.0 N25 A:WFW201 3.7 79.4 1.0 OD2 A:ASP108 3.9 73.3 1.0 MN A:MN204 3.9 67.8 1.0 CB A:GLU80 4.0 56.6 1.0 O A:PRO107 4.2 68.7 1.0 CB A:ASP108 4.3 68.3 1.0 CA A:ASP108 4.3 63.3 1.0 NE2 A:HIS41 4.4 66.4 1.0 ND1 A:HIS41 4.5 64.0 1.0 C A:PRO107 4.5 65.2 1.0 O A:LEU106 4.5 77.9 1.0 N A:ASP108 4.6 63.8 1.0 CA A:GLU80 4.7 66.2 1.0 OE2 A:GLU119 4.7 60.1 1.0 C20 A:WFW201 4.8 79.0 1.0 OE1 A:GLU119 4.8 79.9 1.0 N16 A:WFW201 4.9 89.7 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:67.8 occ:1.00 O19 A:WFW201 1.9 76.1 1.0 O A:ILE120 2.0 75.5 1.0 OE2 A:GLU119 2.1 60.1 1.0 NE2 A:HIS41 2.2 66.4 1.0 OD2 A:ASP108 2.2 73.3 1.0 O21 A:WFW201 2.2 80.8 1.0 C18 A:WFW201 2.7 74.4 1.0 C20 A:WFW201 2.8 79.0 1.0 CE1 A:HIS41 2.9 65.8 1.0 CG A:ASP108 3.0 63.7 1.0 OD1 A:ASP108 3.1 67.3 1.0 C A:ILE120 3.2 56.4 1.0 CD A:GLU119 3.2 72.8 1.0 CD2 A:HIS41 3.3 68.9 1.0 N A:ILE120 3.5 63.4 1.0 O A:HOH301 3.7 74.7 1.0 CA A:ILE120 3.8 56.2 1.0 OE1 A:GLU119 3.9 79.9 1.0 MN A:MN203 3.9 71.1 1.0 ND1 A:HIS41 4.1 64.0 1.0 CB A:ILE120 4.1 69.8 1.0 C17 A:WFW201 4.1 78.9 1.0 CG A:GLU119 4.2 76.3 1.0 N22 A:WFW201 4.2 76.3 1.0 N A:GLY121 4.3 64.4 1.0 O24 A:WFW201 4.3 74.8 1.0 CG A:HIS41 4.3 63.4 1.0 C A:GLU119 4.4 70.7 1.0 CB A:ASP108 4.4 68.3 1.0 CG2 A:ILE120 4.5 62.7 1.0 CA A:GLY121 4.6 71.7 1.0 C23 A:WFW201 4.8 78.3 1.0 CA A:GLU119 4.8 64.2 1.0 NZ A:LYS134 5.0 110.1 1.0

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ000986319 To Be Published.