Manganese in PDB 7knr: The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558, PDB code: 7knr 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)	39.42 / 2.48
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.173, 89.173, 131.846, 90, 90, 90
R / Rfree (%)	20.5 / 24.7

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Manganese atom in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 (pdb code 7knr). 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 SJ000988558, PDB code: 7knr:
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 SJ000988558


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 SJ000988558 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:54.4 occ:1.00 O15 A:WTD203 1.9 58.2 1.0 OD2 A:ASP108 2.1 53.9 1.0 O A:ILE120 2.1 55.9 1.0 OE2 A:GLU119 2.2 53.7 1.0 NE2 A:HIS41 2.2 57.5 1.0 O13 A:WTD203 2.2 62.8 1.0 C14 A:WTD203 2.6 63.9 1.0 C12 A:WTD203 2.8 59.3 1.0 CE1 A:HIS41 2.9 54.2 1.0 CG A:ASP108 3.0 56.5 1.0 CD A:GLU119 3.1 54.6 1.0 OD1 A:ASP108 3.2 55.3 1.0 C A:ILE120 3.2 50.8 1.0 CD2 A:HIS41 3.3 55.8 1.0 OE1 A:GLU119 3.6 59.2 1.0 N A:ILE120 3.6 50.9 1.0 MN A:MN202 3.7 66.5 1.0 CA A:ILE120 3.9 49.1 1.0 N16 A:WTD203 4.0 67.3 1.0 O A:HOH302 4.0 54.9 1.0 ND1 A:HIS41 4.1 50.0 1.0 NZ A:LYS134 4.2 72.0 1.0 CG A:HIS41 4.3 48.8 1.0 CB A:ILE120 4.3 49.3 1.0 C11 A:WTD203 4.3 71.5 1.0 CG A:GLU119 4.3 62.1 1.0 N A:GLY121 4.3 55.9 1.0 CB A:ASP108 4.4 55.2 1.0 C A:GLU119 4.5 50.3 1.0 O A:HOH311 4.6 54.7 1.0 CA A:GLY121 4.6 51.4 1.0 CE A:LYS134 4.9 74.3 1.0 CA A:GLU119 4.9 48.9 1.0 OE1 A:GLU80 5.0 62.4 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 SJ000988558


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 SJ000988558 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:66.5 occ:1.00 O13 A:WTD203 1.9 62.8 1.0 OD1 A:ASP108 2.2 55.3 1.0 O A:HOH302 2.3 54.9 1.0 OE1 A:GLU80 2.4 62.4 1.0 O A:HOH303 2.6 58.5 1.0 O10 A:WTD203 2.6 71.4 1.0 C09 A:WTD203 2.8 70.8 1.0 C12 A:WTD203 2.9 59.3 1.0 C11 A:WTD203 3.2 71.5 1.0 CG A:ASP108 3.3 56.5 1.0 N08 A:WTD203 3.5 81.0 1.0 CD A:GLU80 3.6 55.9 1.0 CE1 A:HIS41 3.7 54.2 1.0 MN A:MN201 3.7 54.4 1.0 OD2 A:ASP108 3.8 53.9 1.0 O A:PRO107 4.2 54.7 1.0 O A:LEU106 4.2 62.0 1.0 C14 A:WTD203 4.2 63.9 1.0 OE1 A:GLU119 4.3 59.2 1.0 NE2 A:HIS41 4.4 57.5 1.0 OE2 A:GLU80 4.4 65.4 1.0 C A:PRO107 4.4 58.0 1.0 CG A:GLU80 4.4 52.4 1.0 C07 A:WTD203 4.4 82.6 1.0 CB A:GLU80 4.5 50.4 1.0 CB A:ASP108 4.5 55.2 1.0 OE2 A:GLU119 4.5 53.7 1.0 CA A:ASP108 4.5 49.9 1.0 O15 A:WTD203 4.6 58.2 1.0 N A:ASP108 4.6 52.8 1.0 ND1 A:HIS41 4.6 50.0 1.0 N18 A:WTD203 4.6 81.6 1.0 CD A:GLU119 4.9 54.6 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 SJ000988558 To Be Published.