Manganese in PDB 6wij: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448, PDB code: 6wij was solved by M.G.Cuypers, P.J.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)	74.27 / 2.44
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.564, 89.564, 132.889, 90, 90, 90
R / Rfree (%)	21.5 / 26.5

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Manganese atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 (pdb code 6wij). 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 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448, PDB code: 6wij:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448


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 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:66.4 occ:1.00 O15 A:U3A203 1.8 70.1 1.0 O A:ILE120 2.2 91.8 1.0 OE2 A:GLU119 2.2 86.8 1.0 OD2 A:ASP108 2.3 67.8 1.0 O13 A:U3A203 2.4 91.9 1.0 NE2 A:HIS41 2.4 58.6 1.0 C14 A:U3A203 2.6 86.3 1.0 C12 A:U3A203 2.9 89.8 1.0 CG A:ASP108 3.1 63.9 1.0 CD A:GLU119 3.1 74.6 1.0 OD1 A:ASP108 3.2 56.2 1.0 CE1 A:HIS41 3.3 63.7 1.0 C A:ILE120 3.3 71.4 1.0 CD2 A:HIS41 3.3 62.5 1.0 OE1 A:GLU119 3.5 77.2 1.0 N A:ILE120 3.7 67.0 1.0 MN A:MN202 3.8 90.1 1.0 N16 A:U3A203 4.0 95.2 1.0 CA A:ILE120 4.0 68.9 1.0 CG A:GLU119 4.3 73.8 1.0 ND1 A:HIS41 4.3 62.3 1.0 N A:GLY121 4.3 71.0 1.0 C11 A:U3A203 4.4 98.1 1.0 O A:HOH301 4.4 68.5 1.0 CG A:HIS41 4.4 55.4 1.0 CB A:ASP108 4.5 63.6 1.0 C A:GLU119 4.5 67.2 1.0 CB A:ILE120 4.6 66.3 1.0 CA A:GLY121 4.6 66.5 1.0 CA A:GLU119 4.9 65.1 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448


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 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:90.1 occ:1.00 O13 A:U3A203 2.0 91.9 1.0 OE2 A:GLU80 2.2 104.0 1.0 OD1 A:ASP108 2.3 56.2 1.0 O10 A:U3A203 2.6 94.4 1.0 C12 A:U3A203 3.1 89.8 1.0 CD A:GLU80 3.3 93.0 1.0 C09 A:U3A203 3.3 102.0 1.0 CG A:ASP108 3.4 63.9 1.0 C11 A:U3A203 3.6 98.1 1.0 CE1 A:HIS41 3.8 63.7 1.0 MN A:MN201 3.8 66.4 1.0 OE1 A:GLU80 3.9 105.1 1.0 OD2 A:ASP108 3.9 67.8 1.0 O A:LEU106 4.0 80.2 1.0 O A:PRO107 4.0 66.9 1.0 OE1 A:GLU119 4.2 77.2 1.0 C A:PRO107 4.2 68.1 1.0 NE2 A:HIS41 4.3 58.6 1.0 CG A:GLU80 4.4 75.2 1.0 C14 A:U3A203 4.4 86.3 1.0 CA A:ASP108 4.4 55.0 1.0 CB A:ASP108 4.5 63.6 1.0 N A:ASP108 4.5 58.8 1.0 CB A:GLU80 4.5 62.4 1.0 N08 A:U3A203 4.6 115.5 1.0 OE2 A:GLU119 4.7 86.8 1.0 O15 A:U3A203 4.7 70.1 1.0 ND1 A:HIS41 4.9 62.3 1.0 C A:LEU106 4.9 78.9 1.0 CD A:GLU119 4.9 74.6 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986448 To Be Published.