Fluorine in PDB 8dvo: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044, PDB code: 8dvo 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)	63.69 / 2.33
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.067, 90.067, 134.09, 90, 90, 90
R / Rfree (%)	22.4 / 27.2

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023044 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 SJ001023044 (pdb code 8dvo). 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 SJ001023044, PDB code: 8dvo:
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 SJ001023044


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 SJ001023044 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:127.6 occ:1.00 F09 A:U0I203 0.0 127.6 1.0 C08 A:U0I203 1.4 130.9 1.0 F10 A:U0I203 2.2 133.8 1.0 F11 A:U0I203 2.2 127.4 1.0 C07 A:U0I203 2.4 128.5 1.0 N16 A:U0I203 2.8 111.5 1.0 C04 A:U0I203 3.0 105.2 1.0 C06 A:U0I203 3.2 121.9 1.0 O A:HOH332 3.2 115.6 1.0 C12 A:U0I203 3.3 129.4 1.0 C05 A:U0I203 3.4 114.2 1.0 C17 A:U0I203 3.5 106.3 1.0 N03 A:U0I203 3.8 98.7 1.0 C32 A:U0I203 4.2 91.2 1.0 O A:HOH311 4.3 97.8 1.0 C18 A:U0I203 4.3 104.0 1.0 C02 A:U0I203 4.3 92.6 1.0 CE A:LYS134 4.3 105.7 1.0 NZ A:LYS134 4.3 111.8 1.0 C15 A:U0I203 4.4 119.8 1.0 C13 A:U0I203 4.5 126.1 1.0 N19 A:U0I203 4.5 108.7 1.0 C14 A:U0I203 5.0 123.7 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 SJ001023044


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 SJ001023044 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:133.8 occ:1.00 F10 A:U0I203 0.0 133.8 1.0 C08 A:U0I203 1.4 130.9 1.0 F11 A:U0I203 2.2 127.4 1.0 F09 A:U0I203 2.2 127.6 1.0 C07 A:U0I203 2.3 128.5 1.0 C12 A:U0I203 2.6 129.4 1.0 C06 A:U0I203 3.7 121.9 1.0 O A:HOH332 3.7 115.6 1.0 C13 A:U0I203 4.0 126.1 1.0 C05 A:U0I203 4.4 114.2 1.0 N16 A:U0I203 4.7 111.5 1.0 C04 A:U0I203 4.7 105.2 1.0 C15 A:U0I203 4.8 119.8 1.0 C14 A:U0I203 4.9 123.7 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 SJ001023044


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 SJ001023044 within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:127.4 occ:1.00 F11 A:U0I203 0.0 127.4 1.0 C08 A:U0I203 1.4 130.9 1.0 F10 A:U0I203 2.2 133.8 1.0 F09 A:U0I203 2.2 127.6 1.0 C07 A:U0I203 2.4 128.5 1.0 O A:HOH311 2.9 97.8 1.0 C05 A:U0I203 2.9 114.2 1.0 C06 A:U0I203 3.0 121.9 1.0 C04 A:U0I203 3.5 105.2 1.0 C12 A:U0I203 3.5 129.4 1.0 N03 A:U0I203 4.1 98.7 1.0 N16 A:U0I203 4.1 111.5 1.0 C15 A:U0I203 4.3 119.8 1.0 C13 A:U0I203 4.7 126.1 1.0 CE A:LYS134 4.8 105.7 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 SJ001023044 To Be Published.