Manganese in PDB 8dvo: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044, PDB code: 8dvo 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)	63.69 / 2.33
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.067, 90.067, 134.09, 90, 90, 90
R / Rfree (%)	22.4 / 27.2

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 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 SJ001023044 (pdb code 8dvo). 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 SJ001023044, PDB code: 8dvo:
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 SJ001023044


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 SJ001023044 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:74.3 occ:1.00 O01 A:U0I203 2.1 76.1 1.0 OD2 A:ASP108 2.1 75.6 1.0 O33 A:U0I203 2.2 94.3 1.0 O A:ILE120 2.3 73.2 1.0 OE2 A:GLU119 2.3 80.8 1.0 NE2 A:HIS41 2.3 81.6 1.0 C02 A:U0I203 2.8 92.6 1.0 C32 A:U0I203 2.8 91.2 1.0 CE1 A:HIS41 2.9 80.1 1.0 CG A:ASP108 3.0 77.1 1.0 OD1 A:ASP108 3.2 85.0 1.0 C A:ILE120 3.4 87.3 1.0 CD A:GLU119 3.4 86.1 1.0 CD2 A:HIS41 3.5 77.0 1.0 O A:HOH304 3.6 82.3 1.0 N A:ILE120 3.7 73.0 1.0 MN A:MN202 3.8 98.7 1.0 CA A:ILE120 3.9 72.6 1.0 OE1 A:GLU119 4.0 74.9 1.0 ND1 A:HIS41 4.1 72.7 1.0 N03 A:U0I203 4.2 98.7 1.0 CB A:ILE120 4.2 79.0 1.0 C17 A:U0I203 4.3 106.3 1.0 CB A:ASP108 4.4 76.0 1.0 CG A:HIS41 4.4 77.9 1.0 CG A:GLU119 4.4 77.5 1.0 O A:HOH308 4.5 82.3 1.0 N A:GLY121 4.5 89.5 1.0 NZ A:LYS134 4.5 111.8 1.0 C A:GLU119 4.6 82.9 1.0 CA A:GLY121 4.8 75.7 1.0 O31 A:U0I203 4.8 97.7 1.0 OE2 A:GLU80 4.9 100.3 1.0 CA A:GLU119 5.0 75.2 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 SJ001023044


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 SJ001023044 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:98.7 occ:1.00 O31 A:U0I203 2.0 97.7 1.0 O A:HOH304 2.1 82.3 1.0 O33 A:U0I203 2.1 94.3 1.0 OE2 A:GLU80 2.2 100.3 1.0 OD1 A:ASP108 2.3 85.0 1.0 C18 A:U0I203 3.0 104.0 1.0 CG A:ASP108 3.1 77.1 1.0 C32 A:U0I203 3.2 91.2 1.0 CD A:GLU80 3.4 90.3 1.0 C17 A:U0I203 3.5 106.3 1.0 OD2 A:ASP108 3.6 75.6 1.0 MN A:MN201 3.8 74.3 1.0 O A:PRO107 3.9 83.6 1.0 CE1 A:HIS41 3.9 80.1 1.0 O A:LEU106 4.0 80.8 1.0 C A:PRO107 4.1 83.0 1.0 CA A:ASP108 4.2 72.9 1.0 N19 A:U0I203 4.2 108.7 1.0 CB A:ASP108 4.2 76.0 1.0 N A:ASP108 4.2 70.0 1.0 OE1 A:GLU80 4.2 125.9 1.0 C23 A:U0I203 4.3 115.9 1.0 CG A:GLU80 4.3 70.7 1.0 CB A:GLU80 4.4 76.3 1.0 OE1 A:GLU119 4.5 74.9 1.0 OE2 A:GLU119 4.5 80.8 1.0 C02 A:U0I203 4.6 92.6 1.0 C20 A:U0I203 4.6 115.3 1.0 NE2 A:HIS41 4.7 81.6 1.0 C A:LEU106 4.9 85.1 1.0 ND1 A:HIS41 4.9 72.7 1.0 O01 A:U0I203 4.9 76.1 1.0 CA A:GLU80 4.9 72.8 1.0 CA A:PRO107 4.9 80.4 1.0 C24 A:U0I203 4.9 113.8 1.0 CD A:GLU119 5.0 86.1 1.0 N16 A:U0I203 5.0 111.5 1.0 C21 A:U0I203 5.0 118.1 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 SJ001023044 To Be Published.