Fluorine in PDB 8e21: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034, PDB code: 8e21 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)	46.44 / 2.61
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.523, 90.523, 134.983, 90, 90, 90
R / Rfree (%)	22.1 / 27.6

The structure of The Crystal Structure of Wild Type 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 (pdb code 8e21). 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 SJ001023034, PDB code: 8e21:
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 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:113.9 occ:1.00 F09 A:U9U203 0.0 113.9 1.0 C08 A:U9U203 1.4 122.6 1.0 F11 A:U9U203 2.2 114.1 1.0 F10 A:U9U203 2.2 125.1 1.0 C07 A:U9U203 2.4 126.6 1.0 C12 A:U9U203 2.6 121.2 1.0 CD A:LYS34 3.5 97.6 1.0 C06 A:U9U203 3.7 120.8 1.0 C26 A:U9U203 3.7 91.5 1.0 OE1 A:GLU26 3.9 119.8 1.0 C13 A:U9U203 4.0 127.2 1.0 CE A:LYS34 4.1 105.3 1.0 C27 A:U9U203 4.2 91.2 1.0 NZ A:LYS34 4.2 104.6 1.0 N25 A:U9U203 4.2 99.7 1.0 C05 A:U9U203 4.4 113.4 1.0 OE2 A:GLU26 4.5 103.9 1.0 CG A:LYS34 4.5 96.5 1.0 CD A:GLU26 4.6 109.4 1.0 CD1 A:ILE38 4.6 92.0 1.0 C15 A:U9U203 4.8 119.4 1.0 N16 A:U9U203 4.8 95.7 1.0 CG1 A:ILE38 4.9 76.1 1.0 C14 A:U9U203 4.9 121.3 1.0 C22 A:U9U203 5.0 96.5 1.0 C24 A:U9U203 5.0 106.0 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 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:125.1 occ:1.00 F10 A:U9U203 0.0 125.1 1.0 C08 A:U9U203 1.4 122.6 1.0 F09 A:U9U203 2.2 113.9 1.0 F11 A:U9U203 2.2 114.1 1.0 C07 A:U9U203 2.4 126.6 1.0 C06 A:U9U203 3.0 120.8 1.0 C05 A:U9U203 3.1 113.4 1.0 C12 A:U9U203 3.4 121.2 1.0 CD A:LYS34 3.6 97.6 1.0 CG A:LYS34 3.9 96.5 1.0 CG1 A:ILE38 4.2 76.1 1.0 C04 A:U9U203 4.2 103.4 1.0 C15 A:U9U203 4.3 119.4 1.0 CD1 A:ILE38 4.5 92.0 1.0 N16 A:U9U203 4.5 95.7 1.0 CE A:LYS34 4.5 105.3 1.0 O A:HOH304 4.6 81.4 1.0 C13 A:U9U203 4.6 127.2 1.0 CB A:LYS34 4.7 83.9 1.0 O A:LYS34 5.0 87.8 1.0 C14 A:U9U203 5.0 121.3 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 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 Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023034 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:114.1 occ:1.00 F11 A:U9U203 0.0 114.1 1.0 C08 A:U9U203 1.4 122.6 1.0 F09 A:U9U203 2.2 113.9 1.0 F10 A:U9U203 2.2 125.1 1.0 C07 A:U9U203 2.4 126.6 1.0 N16 A:U9U203 3.0 95.7 1.0 C06 A:U9U203 3.0 120.8 1.0 C05 A:U9U203 3.0 113.4 1.0 C04 A:U9U203 3.4 103.4 1.0 C12 A:U9U203 3.4 121.2 1.0 N25 A:U9U203 4.0 99.7 1.0 CG1 A:ILE38 4.0 76.1 1.0 C26 A:U9U203 4.0 91.5 1.0 C24 A:U9U203 4.2 106.0 1.0 C17 A:U9U203 4.2 91.3 1.0 N19 A:U9U203 4.2 93.6 1.0 C27 A:U9U203 4.2 91.2 1.0 C15 A:U9U203 4.3 119.4 1.0 C23 A:U9U203 4.4 98.7 1.0 C22 A:U9U203 4.4 96.5 1.0 CD1 A:ILE38 4.4 92.0 1.0 C13 A:U9U203 4.6 127.2 1.0 C18 A:U9U203 4.7 96.3 1.0 N03 A:U9U203 4.8 94.4 1.0 C14 A:U9U203 5.0 121.3 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 SJ001023034 To Be Published.