Manganese in PDB 7k77: The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025, PDB code: 7k77 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)	39.25 / 2.78
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.731, 89.731, 130.958, 90, 90, 90
R / Rfree (%)	22 / 28

The structure of The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025 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 Pa Endonuclease Mutant I38T in Complex with SJ001008025 (pdb code 7k77). 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 Pa Endonuclease Mutant I38T in Complex with SJ001008025, PDB code: 7k77:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025


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 Pa Endonuclease Mutant I38T in Complex with SJ001008025 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:47.9 occ:1.00 O13 A:U3A404 1.9 54.8 1.0 O15 A:U3A404 2.1 47.1 1.0 O A:ILE120 2.1 51.1 1.0 OE2 A:GLU119 2.1 36.7 1.0 NE2 A:HIS41 2.2 46.0 1.0 OD2 A:ASP108 2.2 47.1 1.0 C12 A:U3A404 2.7 53.8 1.0 C14 A:U3A404 2.7 53.7 1.0 CE1 A:HIS41 2.9 46.3 1.0 CG A:ASP108 3.1 44.0 1.0 CD A:GLU119 3.2 41.0 1.0 CD2 A:HIS41 3.2 47.7 1.0 C A:ILE120 3.3 43.7 1.0 OD1 A:ASP108 3.3 50.5 1.0 OE1 A:GLU119 3.7 45.5 1.0 N A:ILE120 3.8 44.2 1.0 MN A:MN403 3.8 52.9 1.0 O A:HOH502 3.9 48.1 1.0 CA A:ILE120 4.0 44.9 1.0 N16 A:U3A404 4.0 54.4 1.0 C11 A:U3A404 4.0 61.5 1.0 ND1 A:HIS41 4.0 43.8 1.0 CG A:HIS41 4.2 36.4 1.0 N A:GLY121 4.3 44.0 1.0 CG A:GLU119 4.3 44.2 1.0 CB A:ILE120 4.4 39.9 1.0 O10 A:U3A404 4.4 66.2 1.0 CB A:ASP108 4.5 40.2 1.0 CA A:GLY121 4.6 35.6 1.0 C A:GLU119 4.8 43.4 1.0 C09 A:U3A404 4.8 61.9 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009 H1N1 Pa Endonuclease Mutant I38T in Complex with SJ001008025


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 Pa Endonuclease Mutant I38T in Complex with SJ001008025 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:52.9 occ:1.00 O10 A:U3A404 1.7 66.2 1.0 OD1 A:ASP108 2.3 50.5 1.0 O A:HOH502 2.3 48.1 1.0 C09 A:U3A404 2.4 61.9 1.0 O13 A:U3A404 2.4 54.8 1.0 O A:HOH504 2.6 37.2 1.0 C12 A:U3A404 3.0 53.8 1.0 C11 A:U3A404 3.0 61.5 1.0 OE1 A:GLU80 3.0 53.7 1.0 CD A:GLU80 3.2 52.2 1.0 CG A:ASP108 3.4 44.0 1.0 N08 A:U3A404 3.4 59.3 1.0 CE1 A:HIS41 3.5 46.3 1.0 OE2 A:GLU80 3.6 57.5 1.0 MN A:MN402 3.8 47.9 1.0 OD2 A:ASP108 3.9 47.1 1.0 CG A:GLU80 3.9 42.3 1.0 CB A:GLU80 4.2 33.9 1.0 N18 A:U3A404 4.2 58.8 1.0 NE2 A:HIS41 4.2 46.0 1.0 C14 A:U3A404 4.3 53.7 1.0 O A:PRO107 4.3 50.6 1.0 ND1 A:HIS41 4.4 43.8 1.0 CB A:ASP108 4.6 40.2 1.0 C07 A:U3A404 4.6 68.6 1.0 O A:LEU106 4.6 46.5 1.0 OE1 A:GLU119 4.7 45.5 1.0 CA A:ASP108 4.7 35.4 1.0 C A:PRO107 4.8 48.1 1.0 OE2 A:GLU119 4.8 36.7 1.0 O A:HOH508 4.9 42.5 1.0 N A:ASP108 4.9 44.7 1.0 C06 A:U3A404 4.9 59.3 1.0 O15 A:U3A404 4.9 47.1 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 SJ001008025 To Be Published.