Magnesium in PDB 8dtw: The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036, PDB code: 8dtw 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)	44.78 / 2.33
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.554, 89.554, 133.963, 90, 90, 90
R / Rfree (%)	22.1 / 27.6

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036 also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Fluorine	(F)	3 atoms

The binding sites of Magnesium atom in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036 (pdb code 8dtw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036, PDB code: 8dtw:

Magnesium binding site 1 out of 1 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg207 b:90.8 occ:1.00 NE2 A:GLN7 2.5 89.4 1.0 O A:HOH318 2.9 76.4 1.0 O A:HOH328 3.0 86.9 1.0 O A:HOH327 3.0 75.1 1.0 CD A:GLN7 3.2 93.6 1.0 O A:HOH304 3.3 79.6 1.0 OE1 A:GLN7 3.6 88.6 1.0 O A:GLN7 3.9 85.2 1.0 OE1 A:GLU181 4.2 92.0 1.0 CA A:CYS8 4.3 68.1 1.0 CG A:GLN7 4.4 91.5 1.0 C A:GLN7 4.6 74.2 1.0 N A:CYS8 4.8 71.4 1.0 CB A:CYS8 4.9 68.6 1.0

M.G.Cuypers, J.P.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023036 To Be Published.