Manganese in PDB 6vll: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986213

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986213, PDB code: 6vll 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)	64.21 / 2.87
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.693, 90.693, 132.456, 90, 90, 90
R / Rfree (%)	23.5 / 28.4

The binding sites of Manganese atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Mutant I38T in Complex with SJ000986213 (pdb code 6vll). 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 SJ000986213, PDB code: 6vll:
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 SJ000986213


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 SJ000986213 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:70.9 occ:1.00 O A:HOH301 1.7 72.9 1.0 OE1 A:GLU80 1.9 66.6 1.0 O03 A:R3J201 2.0 90.0 1.0 O02 A:R3J201 2.0 82.2 1.0 OD1 A:ASP108 2.1 58.9 1.0 O A:HOH305 2.5 55.2 1.0 C07 A:R3J201 2.9 85.7 1.0 CD A:GLU80 3.0 64.2 1.0 C09 A:R3J201 3.0 82.4 1.0 CG A:ASP108 3.2 58.9 1.0 C08 A:R3J201 3.3 91.2 1.0 OE2 A:GLU80 3.7 73.9 1.0 OD2 A:ASP108 3.8 75.4 1.0 MN A:MN203 3.8 66.0 1.0 CE1 A:HIS41 3.9 48.8 1.0 O A:PRO107 3.9 59.3 1.0 CG A:GLU80 4.0 55.0 1.0 OE1 A:GLU119 4.1 80.0 1.0 O A:LEU106 4.2 65.3 1.0 N02 A:R3J201 4.2 92.5 1.0 C10 A:R3J201 4.3 71.0 1.0 CB A:GLU80 4.4 56.5 1.0 CB A:ASP108 4.4 53.3 1.0 C A:PRO107 4.4 63.1 1.0 CA A:ASP108 4.5 54.5 1.0 NE2 A:HIS41 4.6 46.1 1.0 OE2 A:GLU119 4.6 71.8 1.0 N A:ASP108 4.7 60.4 1.0 N04 A:R3J201 4.7 83.7 1.0 O04 A:R3J201 4.7 64.3 1.0 C06 A:R3J201 4.8 101.2 1.0 CD A:GLU119 4.8 71.2 1.0 ND1 A:HIS41 4.8 55.2 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 SJ000986213


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 SJ000986213 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:66.0 occ:1.00 O04 A:R3J201 1.8 64.3 1.0 OD2 A:ASP108 2.1 75.4 1.0 O A:ILE120 2.2 61.5 1.0 O03 A:R3J201 2.2 90.0 1.0 OE2 A:GLU119 2.2 71.8 1.0 NE2 A:HIS41 2.4 46.1 1.0 C10 A:R3J201 2.6 71.0 1.0 C09 A:R3J201 2.8 82.4 1.0 CD A:GLU119 2.8 71.2 1.0 CG A:ASP108 3.0 58.9 1.0 CE1 A:HIS41 3.0 48.8 1.0 OE1 A:GLU119 3.2 80.0 1.0 C A:ILE120 3.2 60.7 1.0 OD1 A:ASP108 3.3 58.9 1.0 N A:ILE120 3.5 57.7 1.0 CD2 A:HIS41 3.5 44.6 1.0 MN A:MN202 3.8 70.9 1.0 CG A:GLU119 3.9 66.8 1.0 CA A:ILE120 3.9 60.7 1.0 N03 A:R3J201 3.9 75.1 1.0 O A:HOH301 4.0 72.9 1.0 C08 A:R3J201 4.2 91.2 1.0 ND1 A:HIS41 4.2 55.2 1.0 N A:GLY121 4.3 58.5 1.0 CB A:ASP108 4.4 53.3 1.0 CB A:ILE120 4.5 61.4 1.0 C A:GLU119 4.5 64.5 1.0 CG A:HIS41 4.5 44.0 1.0 OE1 A:GLU80 4.6 66.6 1.0 CA A:GLY121 4.6 57.3 1.0 O A:HOH308 4.6 59.6 1.0 CA A:GLU119 4.7 67.7 1.0 CB A:GLU119 4.9 67.9 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ000986213 To Be Published.