Fluorine in PDB 8dqs: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032, PDB code: 8dqs 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)	38.09 / 2.45
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.782, 88.782, 135.117, 90, 90, 90
R / Rfree (%)	20.7 / 24.5

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032 (pdb code 8dqs). 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032, PDB code: 8dqs:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:137.1 occ:1.00 F26 A:T8I203 0.0 137.1 1.0 C25 A:T8I203 1.4 153.1 1.0 F27 A:T8I203 2.2 149.6 1.0 F28 A:T8I203 2.2 161.0 1.0 C22 A:T8I203 2.4 149.8 1.0 C21 A:T8I203 2.8 134.6 1.0 CB A:LYS34 3.3 86.3 1.0 C23 A:T8I203 3.6 137.9 1.0 CA A:LYS34 3.7 86.4 1.0 CG A:LYS34 3.9 107.4 1.0 C20 A:T8I203 4.1 116.8 1.0 O A:LYS34 4.1 92.7 1.0 C A:LYS34 4.4 89.5 1.0 CB A:ALA37 4.7 88.7 1.0 CG1 A:ILE38 4.7 89.5 1.0 C24 A:T8I203 4.7 127.7 1.0 C19 A:T8I203 4.9 116.8 1.0 N A:LYS34 5.0 89.1 1.0

Fluorine binding site 2 out of 3 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:149.6 occ:1.00 F27 A:T8I203 0.0 149.6 1.0 C25 A:T8I203 1.4 153.1 1.0 F28 A:T8I203 2.2 161.0 1.0 F26 A:T8I203 2.2 137.1 1.0 C22 A:T8I203 2.4 149.8 1.0 C23 A:T8I203 2.8 137.9 1.0 NH2 A:ARG124 3.3 117.8 1.0 CB A:ALA37 3.4 88.7 1.0 C21 A:T8I203 3.6 134.6 1.0 C24 A:T8I203 4.1 127.7 1.0 CZ A:ARG124 4.3 118.9 1.0 NH1 A:ARG124 4.3 105.4 1.0 CA A:LYS34 4.3 86.4 1.0 CB A:LYS34 4.6 86.3 1.0 C20 A:T8I203 4.7 116.8 1.0 O A:LYS34 4.7 92.7 1.0 CA A:ALA37 4.8 84.5 1.0 C19 A:T8I203 4.9 116.8 1.0 CG A:LYS34 5.0 107.4 1.0

Fluorine binding site 3 out of 3 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032


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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023032 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:161.0 occ:1.00 F28 A:T8I203 0.0 161.0 1.0 C25 A:T8I203 1.4 153.1 1.0 F27 A:T8I203 2.2 149.6 1.0 F26 A:T8I203 2.2 137.1 1.0 C22 A:T8I203 2.4 149.8 1.0 C23 A:T8I203 3.2 137.9 1.0 C21 A:T8I203 3.2 134.6 1.0 C24 A:T8I203 4.4 127.7 1.0 C20 A:T8I203 4.4 116.8 1.0 NH2 A:ARG124 4.7 117.8 1.0 C19 A:T8I203 4.9 116.8 1.0

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 Compound SJ001023032 To Be Published.