Manganese in PDB 7kop: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539, PDB code: 7kop was solved by M.G.Cuypers, P.J.Slavish, J.Seetharaman, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.68 / 2.33
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.594, 89.594, 131.826, 90, 90, 90
R / Rfree (%)	20.7 / 22.8

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Manganese atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539 (pdb code 7kop). 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 I38T Mutant in Complex with SJ000988539, PDB code: 7kop:
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 I38T Mutant in Complex with SJ000988539


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 I38T Mutant in Complex with SJ000988539 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:56.9 occ:1.00 O15 A:WTM203 2.0 61.9 1.0 O A:ILE120 2.1 61.8 1.0 OE2 A:GLU119 2.2 53.6 1.0 OD2 A:ASP108 2.2 55.4 1.0 NE2 A:HIS41 2.2 56.1 1.0 O13 A:WTM203 2.4 81.0 1.0 C14 A:WTM203 2.7 81.8 1.0 CE1 A:HIS41 2.8 45.8 1.0 C12 A:WTM203 2.9 79.5 1.0 CG A:ASP108 3.0 54.3 1.0 OD1 A:ASP108 3.1 48.9 1.0 CD A:GLU119 3.3 67.8 1.0 C A:ILE120 3.3 53.8 1.0 CD2 A:HIS41 3.3 53.0 1.0 N A:ILE120 3.7 52.2 1.0 MN A:MN202 3.8 80.8 1.0 OE1 A:GLU119 3.9 67.6 1.0 O A:HOH303 3.9 62.5 1.0 CA A:ILE120 3.9 48.1 1.0 ND1 A:HIS41 4.0 47.3 1.0 N16 A:WTM203 4.1 86.2 1.0 CG A:HIS41 4.3 54.0 1.0 CB A:ILE120 4.3 56.1 1.0 C11 A:WTM203 4.3 98.6 1.0 CG A:GLU119 4.4 52.3 1.0 N A:GLY121 4.4 62.5 1.0 CB A:ASP108 4.4 55.0 1.0 C A:GLU119 4.5 51.2 1.0 CE A:LYS134 4.6 77.8 1.0 O A:HOH309 4.6 59.5 1.0 CA A:GLY121 4.7 53.2 1.0 CA A:GLU119 4.9 55.0 1.0 OE2 A:GLU80 5.0 64.9 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539


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 I38T Mutant in Complex with SJ000988539 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:80.8 occ:1.00 O13 A:WTM203 2.2 81.0 1.0 OD1 A:ASP108 2.3 48.9 1.0 OE2 A:GLU80 2.4 64.9 1.0 O A:HOH306 2.5 60.0 1.0 O10 A:WTM203 2.6 93.5 1.0 O A:HOH303 2.7 62.5 1.0 C09 A:WTM203 2.9 94.8 1.0 C12 A:WTM203 3.1 79.5 1.0 CD A:GLU80 3.3 64.7 1.0 C11 A:WTM203 3.4 98.6 1.0 CG A:ASP108 3.4 54.3 1.0 CE1 A:HIS41 3.7 45.8 1.0 MN A:MN201 3.8 56.9 1.0 OE1 A:GLU80 3.9 77.4 1.0 N08 A:WTM203 3.9 101.6 1.0 OD2 A:ASP108 4.0 55.4 1.0 O A:PRO107 4.1 56.2 1.0 O A:LEU106 4.2 69.1 1.0 CG A:GLU80 4.2 51.3 1.0 C14 A:WTM203 4.4 81.8 1.0 C A:PRO107 4.5 62.5 1.0 CB A:GLU80 4.5 48.5 1.0 NE2 A:HIS41 4.5 56.1 1.0 C07 A:WTM203 4.5 97.6 1.0 CB A:ASP108 4.6 55.0 1.0 ND1 A:HIS41 4.6 47.3 1.0 OE2 A:GLU119 4.6 53.6 1.0 CA A:ASP108 4.6 54.7 1.0 OE1 A:GLU119 4.6 67.6 1.0 N A:ASP108 4.7 51.1 1.0 N18 A:WTM203 4.8 99.3 1.0 O15 A:WTM203 4.8 61.9 1.0

M.G.Cuypers, P.J.Slavish, J.Seetharaman, S.W.White. The Crystal Structure of the 2009/H1N1/California Pa Endonuclease I38T Mutant in Complex with SJ000988539 To Be Published.