Manganese in PDB 8e21: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034, PDB code: 8e21 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)	46.44 / 2.61
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.523, 90.523, 134.983, 90, 90, 90
R / Rfree (%)	22.1 / 27.6

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Manganese atom in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 (pdb code 8e21). 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 SJ001023034, PDB code: 8e21:
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 SJ001023034


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 SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:83.1 occ:1.00 O30 A:U9U203 2.0 93.7 1.0 O A:ILE120 2.0 88.9 1.0 OD2 A:ASP108 2.2 90.6 1.0 O01 A:U9U203 2.3 95.6 1.0 NE2 A:HIS41 2.3 88.6 1.0 OE2 A:GLU119 2.5 79.0 1.0 C29 A:U9U203 2.7 90.0 1.0 C02 A:U9U203 2.8 91.2 1.0 CG A:ASP108 3.0 90.8 1.0 CE1 A:HIS41 3.0 82.7 1.0 OD1 A:ASP108 3.1 83.8 1.0 C A:ILE120 3.1 77.7 1.0 CD A:GLU119 3.3 86.0 1.0 CD2 A:HIS41 3.4 87.2 1.0 N A:ILE120 3.7 79.7 1.0 O A:HOH302 3.7 83.6 1.0 CA A:ILE120 3.8 78.8 1.0 OE1 A:GLU119 3.9 84.9 1.0 MN A:MN202 4.0 96.5 1.0 CB A:ILE120 4.1 75.3 1.0 C17 A:U9U203 4.2 91.3 1.0 ND1 A:HIS41 4.2 80.0 1.0 N A:GLY121 4.2 79.3 1.0 N03 A:U9U203 4.3 94.4 1.0 CG A:GLU119 4.3 90.2 1.0 C A:GLU119 4.3 80.5 1.0 CB A:ASP108 4.4 89.2 1.0 CG A:HIS41 4.4 65.3 1.0 CA A:GLY121 4.4 76.5 1.0 O28 A:U9U203 4.4 96.8 1.0 O A:HOH303 4.8 88.8 1.0 C18 A:U9U203 4.8 96.3 1.0 CA A:GLU119 4.8 77.0 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 SJ001023034


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 SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:96.5 occ:1.00 O A:HOH302 2.1 83.6 1.0 O28 A:U9U203 2.1 96.8 1.0 OD1 A:ASP108 2.2 83.8 1.0 OE2 A:GLU80 2.3 85.3 1.0 O A:HOH301 2.7 112.5 1.0 O30 A:U9U203 2.8 93.7 1.0 C18 A:U9U203 3.2 96.3 1.0 CD A:GLU80 3.2 88.8 1.0 CG A:ASP108 3.3 90.8 1.0 CE1 A:HIS41 3.8 82.7 1.0 C29 A:U9U203 3.8 90.0 1.0 O A:PRO107 3.8 86.8 1.0 OD2 A:ASP108 4.0 90.6 1.0 OE1 A:GLU80 4.0 96.5 1.0 C17 A:U9U203 4.0 91.3 1.0 MN A:MN201 4.0 83.1 1.0 CG A:GLU80 4.1 71.1 1.0 CB A:GLU80 4.2 71.5 1.0 N19 A:U9U203 4.2 93.6 1.0 C A:PRO107 4.2 93.7 1.0 CA A:ASP108 4.3 82.1 1.0 C20 A:U9U203 4.3 93.0 1.0 CB A:ASP108 4.3 89.2 1.0 O A:LEU106 4.3 83.7 1.0 N A:ASP108 4.4 88.1 1.0 OE1 A:GLU119 4.5 84.9 1.0 NE2 A:HIS41 4.6 88.6 1.0 ND1 A:HIS41 4.7 80.0 1.0 OE2 A:GLU119 4.8 79.0 1.0 CA A:GLU80 4.8 80.7 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 SJ001023034 To Be Published.