Manganese in PDB 6wj4: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448, PDB code: 6wj4 was solved by M.G.Cuypers, P.J.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)	63.70 / 2.55
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.09, 90.09, 132.141, 90, 90, 90
R / Rfree (%)	22.8 / 27.3

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Manganese atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448 (pdb code 6wj4). 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 the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448, PDB code: 6wj4:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448


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 the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:88.8 occ:1.00 O15 A:U3A203 1.9 68.8 1.0 OD2 A:ASP108 2.0 86.2 1.0 O A:ILE120 2.0 97.6 1.0 NE2 A:HIS41 2.4 63.8 1.0 OE2 A:GLU119 2.5 57.5 1.0 O13 A:U3A203 2.5 104.4 1.0 C14 A:U3A203 2.7 85.3 1.0 CG A:ASP108 3.0 81.0 1.0 C12 A:U3A203 3.0 92.9 1.0 CD A:GLU119 3.0 59.7 1.0 C A:ILE120 3.1 70.6 1.0 CE1 A:HIS41 3.1 76.3 1.0 OD1 A:ASP108 3.3 97.0 1.0 OE1 A:GLU119 3.3 63.1 1.0 N A:ILE120 3.4 73.0 1.0 CD2 A:HIS41 3.5 70.6 1.0 CA A:ILE120 3.7 61.8 1.0 N16 A:U3A203 4.1 95.9 1.0 MN A:MN202 4.1 82.7 1.0 CG A:GLU119 4.1 70.5 1.0 N A:GLY121 4.1 71.1 1.0 O A:HOH306 4.3 71.6 1.0 CB A:ILE120 4.3 60.9 1.0 ND1 A:HIS41 4.3 68.7 1.0 C A:GLU119 4.3 62.7 1.0 CB A:ASP108 4.3 64.7 1.0 C11 A:U3A203 4.4 97.1 1.0 CA A:GLY121 4.5 56.8 1.0 CG A:HIS41 4.5 54.9 1.0 O A:HOH308 4.5 63.9 1.0 CA A:GLU119 4.7 61.1 1.0 CB A:GLU119 5.0 65.1 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448


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 the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:82.7 occ:1.00 OD1 A:ASP108 2.0 97.0 1.0 O13 A:U3A203 2.1 104.4 1.0 OE2 A:GLU80 2.1 119.5 1.0 O10 A:U3A203 2.6 108.7 1.0 C12 A:U3A203 3.0 92.9 1.0 C09 A:U3A203 3.1 102.5 1.0 CD A:GLU80 3.2 84.3 1.0 CG A:ASP108 3.2 81.0 1.0 C11 A:U3A203 3.4 97.1 1.0 O A:PRO107 3.7 75.5 1.0 OE1 A:GLU80 3.8 93.2 1.0 OD2 A:ASP108 3.9 86.2 1.0 CE1 A:HIS41 4.0 76.3 1.0 O A:LEU106 4.0 65.5 1.0 MN A:MN201 4.1 88.8 1.0 N08 A:U3A203 4.1 116.9 1.0 C A:PRO107 4.2 80.6 1.0 O A:HOH311 4.2 50.0 1.0 CG A:GLU80 4.3 71.3 1.0 CB A:ASP108 4.3 64.7 1.0 OE1 A:GLU119 4.4 63.1 1.0 C14 A:U3A203 4.4 85.3 1.0 CA A:ASP108 4.4 56.5 1.0 CB A:GLU80 4.4 61.8 1.0 N A:ASP108 4.5 70.7 1.0 NE2 A:HIS41 4.7 63.8 1.0 O15 A:U3A203 4.7 68.8 1.0 N18 A:U3A203 4.8 101.9 1.0 C07 A:U3A203 4.8 127.6 1.0 ND1 A:HIS41 4.9 68.7 1.0 C A:LEU106 4.9 68.5 1.0 CA A:GLU80 5.0 73.7 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009/H1N1/California Pa Endonuclease Wild Type in Complex with SJ000986448 To Be Published.