Manganese in PDB 7mx0: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558, PDB code: 7mx0 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)	38.40 / 2.48
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.631, 89.631, 133.93, 90, 90, 90
R / Rfree (%)	20.9 / 25.7

The structure of The Crystal Structure of Wild Type 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 (pdb code 7mx0). 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558, PDB code: 7mx0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of Wild Type 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:55.9 occ:1.00 O15 A:WTD203 1.9 54.3 1.0 OD2 A:ASP108 2.1 65.0 1.0 O A:ILE120 2.2 70.8 1.0 OE2 A:GLU119 2.2 64.2 1.0 O13 A:WTD203 2.4 73.2 1.0 NE2 A:HIS41 2.4 61.7 1.0 C14 A:WTD203 2.7 65.5 1.0 CG A:ASP108 2.8 61.5 1.0 C12 A:WTD203 2.9 68.8 1.0 OD1 A:ASP108 3.0 55.1 1.0 CE1 A:HIS41 3.0 60.0 1.0 CD A:GLU119 3.1 59.6 1.0 C A:ILE120 3.3 65.0 1.0 N A:ILE120 3.6 58.3 1.0 CD2 A:HIS41 3.6 64.7 1.0 OE1 A:GLU119 3.6 83.7 1.0 MN A:MN202 3.8 68.8 1.0 CA A:ILE120 3.9 52.5 1.0 N16 A:WTD203 4.1 72.5 1.0 ND1 A:HIS41 4.3 56.4 1.0 CG A:GLU119 4.3 64.0 1.0 CB A:ASP108 4.3 57.2 1.0 CB A:ILE120 4.3 56.0 1.0 C A:GLU119 4.4 62.3 1.0 C11 A:WTD203 4.4 83.8 1.0 N A:GLY121 4.4 68.5 1.0 CG A:HIS41 4.5 53.0 1.0 O A:HOH301 4.6 66.0 1.0 CA A:GLU119 4.7 55.4 1.0 CA A:GLY121 4.8 62.3 1.0 OE1 A:GLU80 4.9 75.5 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of Wild Type 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:68.8 occ:1.00 O13 A:WTD203 1.9 73.2 1.0 OD1 A:ASP108 2.2 55.1 1.0 OE1 A:GLU80 2.5 75.5 1.0 O10 A:WTD203 2.7 73.0 1.0 C09 A:WTD203 2.9 71.6 1.0 C12 A:WTD203 3.0 68.8 1.0 CG A:ASP108 3.4 61.5 1.0 C11 A:WTD203 3.4 83.8 1.0 CD A:GLU80 3.5 63.9 1.0 N08 A:WTD203 3.6 104.0 1.0 MN A:MN201 3.8 55.9 1.0 O A:PRO107 3.8 60.3 1.0 O A:LEU106 4.0 69.9 1.0 OD2 A:ASP108 4.0 65.0 1.0 CE1 A:HIS41 4.0 60.0 1.0 C A:PRO107 4.2 61.3 1.0 OE2 A:GLU80 4.2 66.5 1.0 C14 A:WTD203 4.3 65.5 1.0 CG A:GLU80 4.4 58.9 1.0 CA A:ASP108 4.4 50.7 1.0 CB A:GLU80 4.4 53.6 1.0 N A:ASP108 4.4 50.9 1.0 CB A:ASP108 4.4 57.2 1.0 OE1 A:GLU119 4.4 83.7 1.0 C07 A:WTD203 4.5 93.1 1.0 O15 A:WTD203 4.6 54.3 1.0 NE2 A:HIS41 4.7 61.7 1.0 OE2 A:GLU119 4.7 64.2 1.0 C A:LEU106 4.8 68.2 1.0 N18 A:WTD203 4.8 87.7 1.0 CA A:PRO107 4.9 63.1 1.0 ND1 A:HIS41 5.0 56.4 1.0

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 To Be Published.