Fluorine in PDB 7k0w: The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid, PDB code: 7k0w was solved by G.Kumar, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.86 / 2.09
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.718, 89.718, 133.763, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24.9

The structure of The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Fluorine atom in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid (pdb code 7k0w). 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 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid, PDB code: 7k0w:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid


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 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:54.8 occ:1.00 F2 A:E4Z201 0.0 54.8 1.0 C23 A:E4Z201 1.4 52.6 1.0 C24 A:E4Z201 2.4 52.4 1.0 C22 A:E4Z201 2.4 47.7 1.0 F1 A:E4Z201 2.7 57.7 1.0 CG A:GLU26 3.3 66.9 1.0 CA A:MET21 3.4 46.1 1.0 CB A:TYR24 3.5 51.2 1.0 C21 A:E4Z201 3.6 50.9 1.0 C13 A:E4Z201 3.6 48.5 1.0 O A:MET21 3.7 54.3 1.0 CB A:GLU26 3.8 53.9 1.0 O A:ALA20 3.9 55.0 1.0 CG A:MET21 4.0 36.7 1.0 CB A:MET21 4.0 43.0 1.0 C A:MET21 4.0 52.5 1.0 CG A:TYR24 4.0 50.4 1.0 CD1 A:TYR24 4.1 48.9 1.0 C12 A:E4Z201 4.1 46.0 1.0 N A:MET21 4.3 48.7 1.0 C A:ALA20 4.4 51.9 1.0 CD A:GLU26 4.5 69.3 1.0 CD1 A:ILE38 4.5 46.9 1.0 CA A:TYR24 4.5 57.2 1.0 N A:GLU26 4.7 57.5 1.0 N A:TYR24 4.7 56.0 1.0 C A:TYR24 4.8 65.7 1.0 O A:TYR24 4.8 64.2 1.0 OE2 A:GLU26 4.8 83.2 1.0 CA A:GLU26 4.9 60.9 1.0 C14 A:E4Z201 4.9 41.6 1.0 CD A:LYS34 4.9 68.9 1.0

Fluorine binding site 2 out of 2 in the The Crystal Structure of the 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid


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 2009/H1N1/California Pa Endonuclease (Construct with Truncated Loop 51-72) in Complex with Baloxavir Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:57.7 occ:1.00 F1 A:E4Z201 0.0 57.7 1.0 C24 A:E4Z201 1.3 52.4 1.0 C23 A:E4Z201 2.3 52.6 1.0 C13 A:E4Z201 2.4 48.5 1.0 F2 A:E4Z201 2.7 54.8 1.0 C14 A:E4Z201 2.8 41.6 1.0 CD A:LYS34 3.5 68.9 1.0 C22 A:E4Z201 3.6 47.7 1.0 C12 A:E4Z201 3.6 46.0 1.0 S3 A:E4Z201 3.9 44.6 1.0 CG A:GLU26 3.9 66.9 1.0 OE2 A:GLU26 3.9 83.2 1.0 C21 A:E4Z201 4.1 50.9 1.0 CD A:GLU26 4.1 69.3 1.0 NZ A:LYS34 4.1 66.5 1.0 CE A:LYS34 4.3 60.6 1.0 CG A:LYS34 4.4 56.9 1.0 CB A:TYR24 4.8 51.2 1.0 C11 A:E4Z201 4.9 43.4 1.0 CB A:GLU26 4.9 53.9 1.0 CD1 A:ILE38 5.0 46.9 1.0 OE1 A:GLU26 5.0 70.8 1.0

G.Kumar, S.W.White. Crystal Structure of the Influenza Virus Pa Endonuclease in Complex with Baloxavir Acid To Be Published.