Fluorine in PDB 8dpj: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023030

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023030, PDB code: 8dpj 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)	44.80 / 2.45
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.598, 89.598, 134.158, 90, 90, 90
R / Rfree (%)	22.2 / 27.9

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Compound SJ001023030 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 SJ001023030 (pdb code 8dpj). 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 SJ001023030, PDB code: 8dpj:
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 SJ001023030


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 SJ001023030 within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:140.8 occ:1.00 F26 A:SE9204 0.0 140.8 1.0 C25 A:SE9204 1.4 149.0 1.0 F28 A:SE9204 2.2 149.2 1.0 F27 A:SE9204 2.2 142.7 1.0 C23 A:SE9204 2.4 146.1 1.0 NH2 A:ARG124 2.7 97.2 1.0 C22 A:SE9204 2.7 130.9 1.0 C24 A:SE9204 3.6 143.8 1.0 CG A:GLU195 3.9 111.3 1.0 CZ A:ARG124 3.9 99.4 1.0 CB A:ALA37 4.0 79.7 1.0 C21 A:SE9204 4.1 119.3 1.0 NH1 A:ARG124 4.5 94.5 1.0 C19 A:SE9204 4.8 132.3 1.0 CB A:GLU195 4.8 107.7 1.0 CA A:GLU195 4.8 117.4 1.0 NE A:ARG124 4.8 113.3 1.0 C20 A:SE9204 4.9 124.3 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 SJ001023030


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 SJ001023030 within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:142.7 occ:1.00 F27 A:SE9204 0.0 142.7 1.0 C25 A:SE9204 1.4 149.0 1.0 F28 A:SE9204 2.2 149.2 1.0 F26 A:SE9204 2.2 140.8 1.0 C23 A:SE9204 2.4 146.1 1.0 NH2 A:ARG124 2.6 97.2 1.0 C24 A:SE9204 3.0 143.8 1.0 C22 A:SE9204 3.4 130.9 1.0 CB A:ALA37 3.7 79.7 1.0 O A:VAL122 3.8 96.7 1.0 CZ A:ARG124 3.9 99.4 1.0 CG A:GLU195 4.1 111.3 1.0 C19 A:SE9204 4.3 132.3 1.0 NE A:ARG124 4.5 113.3 1.0 C21 A:SE9204 4.6 119.3 1.0 CD A:GLU195 4.6 113.0 1.0 OE2 A:GLU195 4.7 119.9 1.0 CA A:ALA37 4.8 77.9 1.0 NH1 A:ARG124 4.8 94.5 1.0 C20 A:SE9204 4.9 124.3 1.0 OH A:TYR130 5.0 105.8 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 SJ001023030


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 SJ001023030 within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:149.2 occ:1.00 F28 A:SE9204 0.0 149.2 1.0 C25 A:SE9204 1.4 149.0 1.0 F27 A:SE9204 2.2 142.7 1.0 F26 A:SE9204 2.2 140.8 1.0 C23 A:SE9204 2.4 146.1 1.0 C24 A:SE9204 2.9 143.8 1.0 C22 A:SE9204 3.5 130.9 1.0 CG A:GLU195 3.7 111.3 1.0 NH2 A:ARG124 3.9 97.2 1.0 OE2 A:GLU195 4.0 119.9 1.0 C19 A:SE9204 4.2 132.3 1.0 OH A:TYR130 4.2 105.8 1.0 CE1 A:TYR130 4.2 119.1 1.0 CD A:GLU195 4.3 113.0 1.0 C21 A:SE9204 4.7 119.3 1.0 CZ A:TYR130 4.7 107.2 1.0 O A:VAL122 4.9 96.7 1.0 C20 A:SE9204 4.9 124.3 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 SJ001023030 To Be Published.