Manganese in PDB 7umr: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form)

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form), PDB code: 7umr was solved by M.G.Cuypers, J.P.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)	45.60 / 2.53
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.511, 89.511, 131.519, 90, 90, 90
R / Rfree (%)	21.7 / 26.9

The binding sites of Manganese atom in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form) (pdb code 7umr). 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form), PDB code: 7umr:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form)


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:82.4 occ:1.00 O A:ILE120 2.1 85.3 1.0 O4 A:NVR204 2.2 106.0 1.0 OE2 A:GLU119 2.4 67.5 1.0 OD2 A:ASP108 2.4 69.0 1.0 NE2 A:HIS41 2.5 69.3 1.0 O5 A:NVR204 2.5 98.7 1.0 C22 A:NVR204 2.9 90.6 1.0 C23 A:NVR204 3.1 92.2 1.0 CE1 A:HIS41 3.1 68.7 1.0 OD1 A:ASP108 3.1 81.2 1.0 CG A:ASP108 3.1 69.3 1.0 C A:ILE120 3.2 60.0 1.0 CD2 A:HIS41 3.5 73.1 1.0 CD A:GLU119 3.6 83.8 1.0 N A:ILE120 3.7 61.0 1.0 O A:HOH301 3.8 83.4 1.0 MN A:MN202 3.8 105.8 1.0 CA A:ILE120 4.0 58.6 1.0 CE A:LYS134 4.1 93.5 1.0 ND1 A:HIS41 4.2 74.8 1.0 C10 A:NVR204 4.2 103.4 1.0 N A:GLY121 4.2 70.5 1.0 N3 A:NVR204 4.3 91.9 1.0 NZ A:LYS134 4.4 98.0 1.0 CG A:HIS41 4.4 55.2 1.0 CA A:GLY121 4.5 58.8 1.0 OE1 A:GLU119 4.5 99.8 1.0 CG A:GLU119 4.5 75.0 1.0 O1 A:NVR204 4.6 110.3 1.0 CB A:ILE120 4.6 65.4 1.0 C A:GLU119 4.6 68.7 1.0 CB A:ASP108 4.6 70.1 1.0 O A:HOH311 4.8 64.9 1.0 C1 A:NVR204 4.9 102.6 1.0 CA A:GLU119 5.0 66.0 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form)


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans- Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:105.8 occ:1.00 O1 A:NVR204 2.0 110.3 1.0 OD1 A:ASP108 2.1 81.2 1.0 OE1 A:GLU80 2.5 82.4 1.0 O A:HOH302 2.6 76.2 1.0 O A:HOH301 2.6 83.4 1.0 O4 A:NVR204 2.7 106.0 1.0 C1 A:NVR204 2.8 102.6 1.0 CG A:ASP108 3.2 69.3 1.0 CD A:GLU80 3.5 79.6 1.0 C22 A:NVR204 3.5 90.6 1.0 CE1 A:HIS41 3.5 68.7 1.0 C10 A:NVR204 3.6 103.4 1.0 N1 A:NVR204 3.8 106.9 1.0 MN A:MN201 3.8 82.4 1.0 OD2 A:ASP108 3.9 69.0 1.0 O A:PRO107 3.9 74.4 1.0 CB A:GLU80 4.1 60.1 1.0 O A:LEU106 4.2 73.3 1.0 CG A:GLU80 4.2 68.9 1.0 C A:PRO107 4.2 70.8 1.0 CA A:ASP108 4.2 61.8 1.0 CB A:ASP108 4.3 70.1 1.0 NE2 A:HIS41 4.3 69.3 1.0 OE2 A:GLU80 4.3 99.8 1.0 N A:ASP108 4.4 70.6 1.0 OE2 A:GLU119 4.4 67.5 1.0 ND1 A:HIS41 4.5 74.8 1.0 C23 A:NVR204 4.8 92.2 1.0 CA A:GLU80 4.9 75.8 1.0 N2 A:NVR204 4.9 102.8 1.0

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001034732-1 (Trans-Form) To Be Published.