Fluorine in PDB 7knr: The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558, PDB code: 7knr was solved by M.G.Cuypers, P.J.Slavish, S.Jayaraman, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.42 / 2.48
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.173, 89.173, 131.846, 90, 90, 90
R / Rfree (%)	20.5 / 24.7

The structure of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 (pdb code 7knr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558, PDB code: 7knr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:78.5 occ:1.00 F21 A:WTD203 0.0 78.5 1.0 C20 A:WTD203 1.4 84.2 1.0 C19 A:WTD203 2.4 83.7 1.0 C22 A:WTD203 2.4 83.4 1.0 C17 A:WTD203 2.8 77.3 1.0 N16 A:WTD203 3.2 67.3 1.0 C25 A:WTD203 3.7 89.9 1.0 C23 A:WTD203 3.7 92.6 1.0 N18 A:WTD203 3.7 81.6 1.0 CB A:HIS41 4.0 46.7 1.0 CA A:THR38 4.1 48.9 1.0 O A:ALA37 4.1 51.6 1.0 C24 A:WTD203 4.2 98.4 1.0 N A:THR38 4.2 51.1 1.0 C A:ALA37 4.2 50.1 1.0 OG1 A:THR38 4.3 56.0 1.0 CG A:HIS41 4.3 48.8 1.0 O A:HOH311 4.3 54.7 1.0 C14 A:WTD203 4.3 63.9 1.0 CB A:ALA37 4.5 55.0 1.0 C11 A:WTD203 4.7 71.5 1.0 F26 A:WTD203 4.8 87.2 1.0 ND1 A:HIS41 4.8 50.0 1.0 CB A:THR38 4.8 51.9 1.0 CD2 A:HIS41 4.9 55.8 1.0 C12 A:WTD203 5.0 59.3 1.0

Fluorine binding site 2 out of 2 in the The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:87.2 occ:1.00 F26 A:WTD203 0.0 87.2 1.0 C25 A:WTD203 1.4 89.9 1.0 C19 A:WTD203 2.4 83.7 1.0 C24 A:WTD203 2.4 98.4 1.0 C17 A:WTD203 2.8 77.3 1.0 N18 A:WTD203 3.3 81.6 1.0 C20 A:WTD203 3.7 84.2 1.0 N16 A:WTD203 3.7 67.3 1.0 C23 A:WTD203 3.7 92.6 1.0 O02 A:WTD203 3.8 98.8 1.0 C22 A:WTD203 4.2 83.4 1.0 C11 A:WTD203 4.4 71.5 1.0 C14 A:WTD203 4.7 63.9 1.0 C03 A:WTD203 4.7 98.6 1.0 C01 A:WTD203 4.7 96.1 1.0 F21 A:WTD203 4.8 78.5 1.0 C04 A:WTD203 4.9 95.4 1.0 C12 A:WTD203 5.0 59.3 1.0 OH A:TYR130 5.0 80.0 1.0

M.G.Cuypers, P.J.Slavish, S.Jayaraman, S.W.White. The Crystal Structure of the I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with SJ000988558 To Be Published.