Manganese in PDB 7lm4: The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503, PDB code: 7lm4 was solved by M.G.Cuypers, P.J.Slavish, S.Jayaraman, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.41 / 2.35
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.216, 89.216, 131.779, 90, 90, 90
R / Rfree (%)	20.7 / 24.7

The binding sites of Manganese atom in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503 (pdb code 7lm4). 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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503, PDB code: 7lm4:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:50.8 occ:1.00 O15 A:Y5V203 2.0 53.9 1.0 OE2 A:GLU119 2.1 56.2 1.0 O A:ILE120 2.1 59.2 1.0 OD2 A:ASP108 2.1 51.4 1.0 O13 A:Y5V203 2.2 66.7 1.0 NE2 A:HIS41 2.2 50.3 1.0 C14 A:Y5V203 2.7 59.2 1.0 C12 A:Y5V203 2.8 48.0 1.0 CG A:ASP108 3.0 47.5 1.0 CE1 A:HIS41 3.1 48.9 1.0 CD A:GLU119 3.1 57.2 1.0 OD1 A:ASP108 3.2 54.6 1.0 CD2 A:HIS41 3.2 55.1 1.0 C A:ILE120 3.2 52.4 1.0 OE1 A:GLU119 3.6 54.6 1.0 N A:ILE120 3.6 53.7 1.0 O A:HOH303 3.7 53.0 1.0 MN A:MN202 3.8 59.4 1.0 CA A:ILE120 3.9 44.1 1.0 N16 A:Y5V203 4.1 55.9 1.0 ND1 A:HIS41 4.2 48.5 1.0 C11 A:Y5V203 4.2 66.1 1.0 CG A:GLU119 4.3 53.6 1.0 CG A:HIS41 4.3 42.6 1.0 CB A:ILE120 4.3 55.1 1.0 N A:GLY121 4.3 63.2 1.0 CB A:ASP108 4.4 44.1 1.0 C A:GLU119 4.4 53.1 1.0 CA A:GLY121 4.7 41.0 1.0 CA A:GLU119 4.8 49.9 1.0 CE A:LYS134 4.9 78.4 1.0 O A:HOH311 5.0 51.5 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:59.4 occ:1.00 O13 A:Y5V203 2.1 66.7 1.0 OE1 A:GLU80 2.2 68.1 1.0 O A:HOH302 2.2 51.0 1.0 OD1 A:ASP108 2.3 54.6 1.0 O A:HOH303 2.3 53.0 1.0 O10 A:Y5V203 2.4 74.6 1.0 C09 A:Y5V203 2.8 68.3 1.0 C12 A:Y5V203 3.1 48.0 1.0 C11 A:Y5V203 3.3 66.1 1.0 CG A:ASP108 3.3 47.5 1.0 CD A:GLU80 3.4 62.3 1.0 N08 A:Y5V203 3.5 98.5 1.0 CE1 A:HIS41 3.7 48.9 1.0 MN A:MN201 3.8 50.8 1.0 OD2 A:ASP108 3.9 51.4 1.0 C07 A:Y5V203 4.0 103.1 1.0 O A:PRO107 4.2 52.0 1.0 OE2 A:GLU80 4.2 89.2 1.0 CG A:GLU80 4.2 51.7 1.0 O A:LEU106 4.2 66.2 1.0 NE2 A:HIS41 4.3 50.3 1.0 CB A:GLU80 4.4 47.7 1.0 C14 A:Y5V203 4.4 59.2 1.0 OE1 A:GLU119 4.4 54.6 1.0 C A:PRO107 4.5 59.9 1.0 CB A:ASP108 4.5 44.1 1.0 CA A:ASP108 4.6 56.1 1.0 ND1 A:HIS41 4.7 48.5 1.0 OE2 A:GLU119 4.7 56.2 1.0 N A:ASP108 4.7 47.8 1.0 N18 A:Y5V203 4.7 67.7 1.0 O15 A:Y5V203 4.8 53.9 1.0

M.G.Cuypers, P.J.Slavish, S.Jayaraman, Z.Rankovic, S.W.White. The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988503 To Be Published.