Fluorine in PDB 8e4s: The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034, PDB code: 8e4s 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)	46.37 / 2.40
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.085, 90.085, 135.237, 90, 90, 90
R / Rfree (%)	21.8 / 26

The structure of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 (pdb code 8e4s). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034, PDB code: 8e4s:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:126.0 occ:1.00 F09 A:U9U203 0.0 126.0 1.0 C08 A:U9U203 1.4 128.3 1.0 F10 A:U9U203 2.2 126.8 1.0 F11 A:U9U203 2.2 119.1 1.0 C07 A:U9U203 2.4 138.3 1.0 C12 A:U9U203 2.6 143.3 1.0 C06 A:U9U203 3.7 133.2 1.0 C26 A:U9U203 3.8 85.6 1.0 C27 A:U9U203 3.9 96.9 1.0 C13 A:U9U203 4.0 145.2 1.0 CD A:LYS34 4.2 93.6 1.0 OE1 A:GLU26 4.2 109.6 1.0 OE2 A:GLU26 4.3 104.8 1.0 C05 A:U9U203 4.4 114.7 1.0 NZ A:LYS34 4.4 116.1 1.0 N25 A:U9U203 4.5 95.2 1.0 CD A:GLU26 4.7 112.0 1.0 N16 A:U9U203 4.7 97.9 1.0 C15 A:U9U203 4.7 133.8 1.0 C22 A:U9U203 4.8 101.5 1.0 CG A:LYS34 4.8 89.8 1.0 C14 A:U9U203 4.9 143.6 1.0 CE A:LYS34 4.9 111.9 1.0

Fluorine binding site 2 out of 3 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034


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 I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:126.8 occ:1.00 F10 A:U9U203 0.0 126.8 1.0 C08 A:U9U203 1.4 128.3 1.0 F09 A:U9U203 2.2 126.0 1.0 F11 A:U9U203 2.2 119.1 1.0 C07 A:U9U203 2.4 138.3 1.0 C06 A:U9U203 3.0 133.2 1.0 C05 A:U9U203 3.0 114.7 1.0 C12 A:U9U203 3.4 143.3 1.0 CG A:LYS34 3.6 89.8 1.0 CD A:LYS34 3.7 93.6 1.0 C04 A:U9U203 4.2 106.6 1.0 C15 A:U9U203 4.3 133.8 1.0 N16 A:U9U203 4.4 97.9 1.0 NZ A:LYS34 4.4 116.1 1.0 CE A:LYS34 4.6 111.9 1.0 C13 A:U9U203 4.6 145.2 1.0 OG1 A:THR38 4.9 75.9 1.0 C14 A:U9U203 4.9 143.6 1.0

Fluorine binding site 3 out of 3 in the The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of I38T Mutant Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:119.1 occ:1.00 F11 A:U9U203 0.0 119.1 1.0 C08 A:U9U203 1.4 128.3 1.0 F09 A:U9U203 2.2 126.0 1.0 F10 A:U9U203 2.2 126.8 1.0 C07 A:U9U203 2.4 138.3 1.0 N16 A:U9U203 2.8 97.9 1.0 C06 A:U9U203 3.0 133.2 1.0 C05 A:U9U203 3.1 114.7 1.0 C04 A:U9U203 3.4 106.6 1.0 C12 A:U9U203 3.4 143.3 1.0 N19 A:U9U203 3.8 89.8 1.0 C26 A:U9U203 3.9 85.6 1.0 C27 A:U9U203 3.9 96.9 1.0 C17 A:U9U203 4.0 93.7 1.0 N25 A:U9U203 4.1 95.2 1.0 C22 A:U9U203 4.1 101.5 1.0 C24 A:U9U203 4.2 98.7 1.0 C23 A:U9U203 4.3 91.5 1.0 C15 A:U9U203 4.3 133.8 1.0 C18 A:U9U203 4.4 97.4 1.0 C13 A:U9U203 4.6 145.2 1.0 N03 A:U9U203 4.8 102.4 1.0 OG1 A:THR38 4.8 75.9 1.0 C21 A:U9U203 4.9 110.3 1.0 C20 A:U9U203 4.9 104.8 1.0 C14 A:U9U203 5.0 143.6 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 SJ001023034 To Be Published.