Manganese in PDB 8dpj: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023030

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023030, PDB code: 8dpj 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)	44.80 / 2.45
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.598, 89.598, 134.158, 90, 90, 90
R / Rfree (%)	22.2 / 27.9

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023030 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 SJ001023030 (pdb code 8dpj). 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 SJ001023030, PDB code: 8dpj:
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 SJ001023030


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 SJ001023030 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:79.9 occ:1.00 O15 A:SE9204 1.9 80.3 1.0 OD2 A:ASP108 2.0 79.2 1.0 O A:ILE120 2.1 94.5 1.0 OE2 A:GLU119 2.3 87.4 1.0 O13 A:SE9204 2.4 94.2 1.0 NE2 A:HIS41 2.4 86.8 1.0 C14 A:SE9204 2.7 91.0 1.0 CG A:ASP108 2.8 88.9 1.0 C12 A:SE9204 2.9 94.4 1.0 OD1 A:ASP108 3.0 70.7 1.0 CE1 A:HIS41 3.2 89.8 1.0 C A:ILE120 3.3 83.2 1.0 CD A:GLU119 3.3 84.7 1.0 CD2 A:HIS41 3.5 88.4 1.0 MN A:MN202 3.6 96.4 1.0 N A:ILE120 3.7 76.7 1.0 OE1 A:GLU119 3.8 101.5 1.0 CA A:ILE120 3.9 68.9 1.0 N16 A:SE9204 4.0 109.1 1.0 CB A:ASP108 4.3 72.1 1.0 ND1 A:HIS41 4.3 87.9 1.0 C11 A:SE9204 4.3 110.1 1.0 N A:GLY121 4.3 80.9 1.0 CB A:ILE120 4.3 74.7 1.0 CG A:GLU119 4.4 88.5 1.0 C A:GLU119 4.5 80.8 1.0 CG A:HIS41 4.5 67.0 1.0 CA A:GLY121 4.6 68.7 1.0 CA A:GLU119 4.8 80.8 1.0 CE A:LYS134 5.0 97.6 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 SJ001023030


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 SJ001023030 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:96.4 occ:1.00 OD1 A:ASP108 2.1 70.7 1.0 O13 A:SE9204 2.3 94.2 1.0 OE1 A:GLU80 2.6 101.2 1.0 O10 A:SE9204 2.7 92.3 1.0 C12 A:SE9204 3.2 94.4 1.0 CG A:ASP108 3.2 88.9 1.0 C09 A:SE9204 3.5 114.1 1.0 MN A:MN201 3.6 79.9 1.0 C11 A:SE9204 3.7 110.1 1.0 O A:PRO107 3.7 84.6 1.0 CD A:GLU80 3.8 89.0 1.0 CE1 A:HIS41 3.8 89.8 1.0 OD2 A:ASP108 3.8 79.2 1.0 C A:PRO107 4.1 86.4 1.0 O A:LEU106 4.2 93.5 1.0 CB A:ASP108 4.4 72.1 1.0 CB A:GLU80 4.4 66.1 1.0 C14 A:SE9204 4.4 91.0 1.0 CA A:ASP108 4.4 77.1 1.0 NE2 A:HIS41 4.4 86.8 1.0 N A:ASP108 4.4 79.1 1.0 OE1 A:GLU119 4.5 101.5 1.0 CG A:GLU80 4.5 76.7 1.0 OE2 A:GLU119 4.6 87.4 1.0 OE2 A:GLU80 4.7 108.1 1.0 O15 A:SE9204 4.7 80.3 1.0 N08 A:SE9204 4.8 127.3 1.0 ND1 A:HIS41 4.8 87.9 1.0 CA A:PRO107 4.9 78.8 1.0 N18 A:SE9204 5.0 115.8 1.0 C A:LEU106 5.0 92.8 1.0 CD A:GLU119 5.0 84.7 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 SJ001023030 To Be Published.