Manganese in PDB 7lp8: The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476, PDB code: 7lp8 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)	38.47 / 2.55
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.877, 89.877, 132.604, 90, 90, 90
R / Rfree (%)	21.6 / 23.9

The binding sites of Manganese atom in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476 (pdb code 7lp8). 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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476, PDB code: 7lp8:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn203 b:64.5 occ:1.00 OE2 A:GLU119 2.0 65.1 1.0 O01 A:YAD201 2.0 85.3 1.0 OD2 A:ASP108 2.1 61.2 1.0 O A:ILE120 2.1 73.0 1.0 NE2 A:HIS41 2.2 67.4 1.0 O08 A:YAD201 2.2 85.7 1.0 C02 A:YAD201 2.6 73.1 1.0 C07 A:YAD201 2.7 82.2 1.0 CE1 A:HIS41 3.0 73.2 1.0 CG A:ASP108 3.0 65.8 1.0 CD A:GLU119 3.1 69.7 1.0 OD1 A:ASP108 3.1 72.7 1.0 C A:ILE120 3.3 64.0 1.0 CD2 A:HIS41 3.4 72.1 1.0 OE1 A:GLU119 3.6 75.3 1.0 N A:ILE120 3.6 60.2 1.0 MN A:MN204 3.6 71.9 1.0 CA A:ILE120 3.9 66.5 1.0 O A:HOH302 4.0 75.8 1.0 C03 A:YAD201 4.0 81.3 1.0 N06 A:YAD201 4.1 88.2 1.0 ND1 A:HIS41 4.1 74.7 1.0 CG A:GLU119 4.3 66.3 1.0 N A:GLY121 4.3 61.1 1.0 CG A:HIS41 4.4 74.8 1.0 CB A:ASP108 4.4 63.6 1.0 CE A:LYS134 4.4 87.2 1.0 CB A:ILE120 4.4 56.6 1.0 CA A:GLY121 4.6 67.5 1.0 C A:GLU119 4.6 65.4 1.0 O25 A:YAD201 4.6 85.9 1.0 C24 A:YAD201 4.8 87.3 1.0 OE1 A:GLU80 4.8 85.6 1.0 CG2 A:ILE120 4.9 57.5 1.0 CA A:GLU119 5.0 58.6 1.0 NZ A:LYS134 5.0 96.0 1.0 N04 A:YAD201 5.0 90.4 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:71.9 occ:1.00 OE1 A:GLU80 2.0 85.6 1.0 OD1 A:ASP108 2.1 72.7 1.0 O A:HOH302 2.3 75.8 1.0 O25 A:YAD201 2.4 85.9 1.0 O A:HOH303 2.4 54.1 1.0 O01 A:YAD201 2.6 85.3 1.0 C24 A:YAD201 2.9 87.3 1.0 CD A:GLU80 3.2 80.4 1.0 CG A:ASP108 3.2 65.8 1.0 C02 A:YAD201 3.4 73.1 1.0 C03 A:YAD201 3.5 81.3 1.0 MN A:MN203 3.6 64.5 1.0 CE1 A:HIS41 3.8 73.2 1.0 N26 A:YAD201 3.8 85.9 1.0 OD2 A:ASP108 3.8 61.2 1.0 OE2 A:GLU80 4.0 81.8 1.0 C27 A:YAD201 4.1 96.5 1.0 CG A:GLU80 4.2 72.5 1.0 OE1 A:GLU119 4.2 75.3 1.0 O A:LEU106 4.3 72.8 1.0 NE2 A:HIS41 4.4 67.4 1.0 O A:PRO107 4.4 66.2 1.0 CB A:ASP108 4.4 63.6 1.0 OE2 A:GLU119 4.4 65.1 1.0 CB A:GLU80 4.5 64.2 1.0 CA A:ASP108 4.5 64.2 1.0 C A:PRO107 4.6 66.2 1.0 N A:ASP108 4.6 68.0 1.0 C07 A:YAD201 4.7 82.2 1.0 ND1 A:HIS41 4.7 74.7 1.0 CD A:GLU119 4.8 69.7 1.0 N04 A:YAD201 4.8 90.4 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000983476 To Be Published.