Manganese in PDB 7n8f: The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988288

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988288, PDB code: 7n8f 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)	39.97 / 2.35
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.887, 89.887, 133.89, 90, 90, 90
R / Rfree (%)	21.8 / 25.3

The binding sites of Manganese atom in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988288 (pdb code 7n8f). 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 SJ000988288, PDB code: 7n8f:
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 SJ000988288


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 SJ000988288 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:66.9 occ:1.00 O A:ILE120 2.1 93.8 1.0 O04 A:R3J204 2.1 59.9 1.0 NE2 A:HIS41 2.2 79.1 1.0 OD2 A:ASP108 2.2 70.5 1.0 O03 A:R3J204 2.3 84.0 1.0 OE2 A:GLU119 2.5 96.0 1.0 C10 A:R3J204 2.8 69.9 1.0 CE1 A:HIS41 2.9 71.8 1.0 C09 A:R3J204 2.9 63.5 1.0 CG A:ASP108 3.0 79.7 1.0 CD A:GLU119 3.2 77.1 1.0 C A:ILE120 3.2 63.1 1.0 OD1 A:ASP108 3.2 61.9 1.0 CD2 A:HIS41 3.2 73.5 1.0 OE1 A:GLU119 3.3 68.7 1.0 N A:ILE120 3.5 68.4 1.0 MN A:MN202 3.8 69.2 1.0 CA A:ILE120 3.8 64.4 1.0 O A:HOH304 3.9 68.6 1.0 ND1 A:HIS41 4.0 70.9 1.0 N03 A:R3J204 4.1 78.1 1.0 CB A:ILE120 4.2 80.6 1.0 C08 A:R3J204 4.2 88.7 1.0 CG A:HIS41 4.2 64.4 1.0 N A:GLY121 4.3 80.3 1.0 O A:HOH305 4.4 71.5 1.0 CG A:GLU119 4.4 70.5 1.0 CB A:ASP108 4.4 68.5 1.0 C A:GLU119 4.5 77.5 1.0 CA A:GLY121 4.7 85.8 1.0 OE2 A:GLU80 4.9 75.7 1.0 O A:HOH307 4.9 63.8 1.0 CG2 A:ILE120 4.9 67.7 1.0 CA A:GLU119 4.9 74.0 1.0 C07 A:R3J204 5.0 67.9 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 SJ000988288


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 SJ000988288 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:69.2 occ:1.00 O A:HOH302 2.0 71.2 1.0 O A:HOH304 2.2 68.6 1.0 OD1 A:ASP108 2.2 61.9 1.0 O03 A:R3J204 2.4 84.0 1.0 OE2 A:GLU80 2.5 75.7 1.0 O02 A:R3J204 2.6 95.3 1.0 C07 A:R3J204 2.7 67.9 1.0 C09 A:R3J204 3.1 63.5 1.0 CG A:ASP108 3.2 79.7 1.0 N02 A:R3J204 3.2 93.8 1.0 C08 A:R3J204 3.3 88.7 1.0 CD A:GLU80 3.4 66.8 1.0 OD2 A:ASP108 3.8 70.5 1.0 MN A:MN201 3.8 66.9 1.0 CE1 A:HIS41 3.8 71.8 1.0 O A:PRO107 4.0 62.9 1.0 OE1 A:GLU80 4.1 79.7 1.0 C06 A:R3J204 4.2 103.7 1.0 CG A:GLU80 4.3 67.8 1.0 O A:LEU106 4.3 78.8 1.0 C10 A:R3J204 4.3 69.9 1.0 OE1 A:GLU119 4.3 68.7 1.0 CB A:GLU80 4.3 56.3 1.0 C A:PRO107 4.4 81.8 1.0 CB A:ASP108 4.4 68.5 1.0 CA A:ASP108 4.5 72.7 1.0 N04 A:R3J204 4.5 95.9 1.0 NE2 A:HIS41 4.5 79.1 1.0 N A:ASP108 4.6 73.4 1.0 O04 A:R3J204 4.7 59.9 1.0 ND1 A:HIS41 4.7 70.9 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 SJ000988288 To Be Published.