Manganese in PDB 7kny: The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528, PDB code: 7kny was solved by M.G.Cuypers, P.J.Slavish, S.Jayaraman, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.84 / 2.48
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.541, 89.541, 132.914, 90, 90, 90
R / Rfree (%)	21.1 / 26.8

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Manganese atom in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528 (pdb code 7kny). 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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528, PDB code: 7kny:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:54.9 occ:1.00 O A:ILE120 2.1 74.2 1.0 OD2 A:ASP108 2.1 58.7 1.0 O15 A:WTG203 2.1 69.6 1.0 O13 A:WTG203 2.2 76.5 1.0 OE2 A:GLU119 2.2 63.6 1.0 NE2 A:HIS41 2.2 59.0 1.0 C14 A:WTG203 2.7 65.0 1.0 C12 A:WTG203 2.8 57.3 1.0 CE1 A:HIS41 3.0 58.7 1.0 CG A:ASP108 3.0 62.1 1.0 CD A:GLU119 3.2 62.8 1.0 OD1 A:ASP108 3.2 59.9 1.0 C A:ILE120 3.2 59.1 1.0 CD2 A:HIS41 3.3 57.6 1.0 N A:ILE120 3.6 58.0 1.0 OE1 A:GLU119 3.7 67.9 1.0 MN A:MN202 3.7 70.2 1.0 CA A:ILE120 3.9 55.2 1.0 ND1 A:HIS41 4.1 68.2 1.0 O A:HOH302 4.1 58.2 1.0 N16 A:WTG203 4.1 80.4 1.0 C11 A:WTG203 4.2 84.0 1.0 CB A:ILE120 4.3 54.3 1.0 CG A:HIS41 4.3 49.2 1.0 CG A:GLU119 4.3 53.9 1.0 N A:GLY121 4.3 67.8 1.0 CB A:ASP108 4.4 60.1 1.0 C A:GLU119 4.5 58.9 1.0 CA A:GLY121 4.6 58.5 1.0 NZ A:LYS134 4.7 82.4 1.0 O10 A:WTG203 4.8 72.3 1.0 CA A:GLU119 4.8 54.2 1.0 O A:HOH306 4.8 60.0 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:70.2 occ:1.00 O10 A:WTG203 1.9 72.3 1.0 OD1 A:ASP108 2.1 59.9 1.0 O13 A:WTG203 2.2 76.5 1.0 O A:HOH305 2.2 56.1 1.0 O A:HOH302 2.4 58.2 1.0 OE1 A:GLU80 2.5 64.7 1.0 C09 A:WTG203 2.9 83.1 1.0 C12 A:WTG203 3.1 57.3 1.0 CG A:ASP108 3.2 62.1 1.0 C11 A:WTG203 3.4 84.0 1.0 CE1 A:HIS41 3.6 58.7 1.0 CD A:GLU80 3.7 60.2 1.0 MN A:MN201 3.7 54.9 1.0 OD2 A:ASP108 3.8 58.7 1.0 N08 A:WTG203 4.1 103.8 1.0 O A:PRO107 4.2 56.2 1.0 NE2 A:HIS41 4.3 59.0 1.0 O A:LEU106 4.3 62.5 1.0 OE1 A:GLU119 4.3 67.9 1.0 CG A:GLU80 4.4 53.6 1.0 CB A:ASP108 4.4 60.1 1.0 C14 A:WTG203 4.5 65.0 1.0 C A:PRO107 4.5 68.6 1.0 CB A:GLU80 4.5 46.0 1.0 OE2 A:GLU119 4.5 63.6 1.0 CA A:ASP108 4.5 55.9 1.0 C07 A:WTG203 4.5 112.3 1.0 OE2 A:GLU80 4.6 83.8 1.0 ND1 A:HIS41 4.6 68.2 1.0 N A:ASP108 4.6 50.5 1.0 N18 A:WTG203 4.8 86.2 1.0 O15 A:WTG203 4.8 69.6 1.0 CD A:GLU119 4.9 62.8 1.0

M.G.Cuypers, P.J.Slavish, S.Jayaraman, S.W.White. The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988528 To Be Published.