Manganese in PDB 7mpf: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436, PDB code: 7mpf 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)	74.50 / 2.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.723, 89.723, 133.7, 90, 90, 90
R / Rfree (%)	22.3 / 24.4

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Manganese atom in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436 (pdb code 7mpf). 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 SJ000986436, PDB code: 7mpf:
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 SJ000986436


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 SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:52.2 occ:1.00 O A:ILE120 2.0 59.5 1.0 O13 A:R1D203 2.0 69.7 0.5 O13 A:R1D203 2.0 69.8 0.5 OD2 A:ASP108 2.1 66.0 1.0 OE2 A:GLU119 2.1 72.7 1.0 O15 A:R1D203 2.2 69.7 0.5 O15 A:R1D203 2.3 70.1 0.5 NE2 A:HIS41 2.4 60.0 1.0 C12 A:R1D203 2.8 69.8 0.5 C12 A:R1D203 2.8 64.6 0.5 C14 A:R1D203 2.8 67.8 0.5 C14 A:R1D203 2.8 68.0 0.5 CG A:ASP108 2.9 54.3 1.0 CD A:GLU119 3.1 70.3 1.0 OD1 A:ASP108 3.1 69.8 1.0 CE1 A:HIS41 3.1 64.9 1.0 C A:ILE120 3.2 56.5 1.0 CD2 A:HIS41 3.4 62.5 1.0 N A:ILE120 3.5 55.1 1.0 OE1 A:GLU119 3.6 73.7 1.0 CA A:ILE120 3.8 54.8 1.0 MN A:MN202 3.9 56.6 1.0 O A:HOH301 4.0 66.1 1.0 C11 A:R1D203 4.2 71.0 0.5 N16 A:R1D203 4.2 71.9 0.5 C11 A:R1D203 4.2 75.1 0.5 CB A:ILE120 4.2 51.8 1.0 N16 A:R1D203 4.2 71.8 0.5 ND1 A:HIS41 4.3 60.1 1.0 N A:GLY121 4.3 58.2 1.0 CG A:GLU119 4.3 61.6 1.0 C A:GLU119 4.3 57.2 1.0 CB A:ASP108 4.3 49.4 1.0 CG A:HIS41 4.4 54.4 1.0 O10 A:R1D203 4.6 65.8 0.5 O10 A:R1D203 4.6 65.5 0.5 CA A:GLY121 4.6 60.4 1.0 O A:HOH304 4.8 55.7 1.0 CA A:GLU119 4.8 57.4 1.0 CG2 A:ILE120 4.8 51.6 1.0 C09 A:R1D203 4.9 71.1 0.5 C09 A:R1D203 4.9 75.8 0.5

Manganese binding site 2 out of 2 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with SJ000986436


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 SJ000986436 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:56.6 occ:1.00 OD1 A:ASP108 1.9 69.8 1.0 O A:HOH301 1.9 66.1 1.0 O10 A:R1D203 2.1 65.8 0.5 O10 A:R1D203 2.1 65.5 0.5 O A:HOH303 2.6 60.7 1.0 O13 A:R1D203 2.6 69.7 0.5 O13 A:R1D203 2.6 69.8 0.5 C09 A:R1D203 3.1 75.8 0.5 C09 A:R1D203 3.1 71.1 0.5 CG A:ASP108 3.1 54.3 1.0 OE2 A:GLU80 3.3 72.4 1.0 CD A:GLU80 3.3 73.1 1.0 OE1 A:GLU80 3.3 73.2 1.0 C12 A:R1D203 3.5 69.8 0.5 C12 A:R1D203 3.5 64.6 0.5 CE1 A:HIS41 3.6 64.9 1.0 C11 A:R1D203 3.7 71.0 0.5 C11 A:R1D203 3.7 75.1 0.5 OD2 A:ASP108 3.8 66.0 1.0 MN A:MN201 3.9 52.2 1.0 O A:PRO107 4.0 58.8 1.0 CB A:GLU80 4.0 50.0 1.0 CG A:GLU80 4.1 57.5 1.0 CB A:ASP108 4.2 49.4 1.0 N08 A:R1D203 4.2 76.2 0.5 N08 A:R1D203 4.2 76.3 0.5 CA A:ASP108 4.3 49.1 1.0 C A:PRO107 4.3 60.1 1.0 O A:LEU106 4.3 65.1 1.0 NE2 A:HIS41 4.3 60.0 1.0 N A:ASP108 4.4 53.9 1.0 OE1 A:GLU119 4.5 73.7 1.0 C07 A:R1D203 4.5 76.9 0.5 C07 A:R1D203 4.5 76.7 0.5 ND1 A:HIS41 4.6 60.1 1.0 C14 A:R1D203 4.8 67.8 0.5 OE2 A:GLU119 4.8 72.7 1.0 CA A:GLU80 4.8 55.2 1.0 C14 A:R1D203 4.8 68.0 0.5 N18 A:R1D203 5.0 74.9 0.5

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 SJ000986436 To Be Published.