Fluorine in PDB 7m0n: The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir

The structure of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir, PDB code: 7m0n was solved by M.G.Cuypers, P.J.Slavish, M.K.Yun, R.Dubois, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.44 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	126.702, 135.126, 126.751, 90, 90, 90
R / Rfree (%)	19.2 / 23.1

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

Manganese

(Mn)

8 atoms

The binding sites of Fluorine atom in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir (pdb code 7m0n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir, PDB code: 7m0n:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir


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 Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:141.9 occ:1.00 FAI A:RLT301 0.0 141.9 1.0 CAX A:RLT301 1.4 141.2 1.0 CAJ A:RLT301 2.3 144.4 1.0 CAK A:RLT301 2.3 139.8 1.0 CA A:PHE105 3.4 70.8 1.0 N A:LEU106 3.4 69.8 1.0 CD2 A:PHE105 3.6 82.4 1.0 CAL A:RLT301 3.6 155.8 1.0 CAM A:RLT301 3.6 142.2 1.0 CB A:PHE105 3.8 88.7 1.0 O A:LYS104 3.9 80.7 1.0 C A:PHE105 3.9 78.5 1.0 CZ2 A:TRP88 4.0 73.0 1.0 CG A:PHE105 4.0 91.5 1.0 CAY A:RLT301 4.1 154.7 1.0 N A:PHE105 4.5 74.1 1.0 CB A:LEU106 4.5 79.3 1.0 CE2 A:PHE105 4.5 88.2 1.0 CA A:LEU106 4.6 73.6 1.0 C A:LYS104 4.6 80.5 1.0 CE2 A:TRP88 4.9 70.2 1.0 CH2 A:TRP88 4.9 64.9 1.0 CG A:LEU106 4.9 79.6 1.0 NE1 A:TRP88 5.0 68.5 1.0

Fluorine binding site 2 out of 4 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir


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 Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:104.2 occ:1.00 FAI B:RLT301 0.0 104.2 1.0 CAX B:RLT301 1.4 106.7 1.0 CAJ B:RLT301 2.3 116.6 1.0 CAK B:RLT301 2.3 107.2 1.0 CD1 B:PHE105 3.1 81.0 1.0 CA B:PHE105 3.2 64.8 1.0 N B:LEU106 3.4 70.3 1.0 CB B:PHE105 3.4 70.5 1.0 CAL B:RLT301 3.6 126.6 1.0 CAM B:RLT301 3.6 120.9 1.0 CG B:PHE105 3.7 80.9 1.0 C B:PHE105 3.8 66.5 1.0 O B:LYS104 3.9 74.1 1.0 CAY B:RLT301 4.1 131.5 1.0 CE1 B:PHE105 4.1 85.5 1.0 N B:PHE105 4.3 64.0 1.0 CZ2 B:TRP88 4.4 73.3 1.0 C B:LYS104 4.6 72.9 1.0 CA B:LEU106 4.6 63.1 1.0 CB B:LEU106 4.6 64.7 1.0 CD2 B:PHE105 5.0 75.9 1.0

Fluorine binding site 3 out of 4 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir


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 Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:133.9 occ:1.00 FAI C:RLT301 0.0 133.9 1.0 CAX C:RLT301 1.4 125.8 1.0 CAK C:RLT301 2.3 128.7 1.0 CAJ C:RLT301 2.3 108.2 1.0 CD1 C:PHE105 3.0 89.1 1.0 CE1 C:PHE105 3.3 86.3 1.0 CAM C:RLT301 3.6 137.1 1.0 CAL C:RLT301 3.6 116.5 1.0 NH2 C:ARG84 3.9 102.2 1.0 CAY C:RLT301 4.1 138.9 1.0 CG C:PHE105 4.2 87.4 1.0 CB C:PHE105 4.6 71.9 1.0 CZ C:PHE105 4.7 86.7 1.0 CZ C:ARG84 5.0 109.7 1.0 CA C:PHE105 5.0 56.5 1.0

Fluorine binding site 4 out of 4 in the The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:110.8 occ:1.00 FAI D:RLT301 0.0 110.8 1.0 CAX D:RLT301 1.4 118.5 1.0 CAJ D:RLT301 2.3 130.2 1.0 CAK D:RLT301 2.3 118.2 1.0 N D:LEU106 3.1 66.1 1.0 CA D:PHE105 3.4 64.1 1.0 CAL D:RLT301 3.6 138.4 1.0 CAM D:RLT301 3.6 134.0 1.0 C D:PHE105 3.8 62.8 1.0 CB D:PHE105 3.8 59.3 1.0 CD2 D:PHE105 3.8 82.5 1.0 CZ2 D:TRP88 4.0 62.2 1.0 CAY D:RLT301 4.1 143.9 1.0 CB D:LEU106 4.1 71.5 1.0 CA D:LEU106 4.2 59.3 1.0 CG D:PHE105 4.3 70.0 1.0 O D:LYS104 4.3 72.3 1.0 NH1 D:ARG84 4.4 97.9 1.0 CG D:LEU106 4.5 75.8 1.0 N D:PHE105 4.7 65.0 1.0 CE2 D:TRP88 4.8 60.4 1.0 NE1 D:TRP88 4.8 71.8 1.0 CH2 D:TRP88 4.8 54.2 1.0 CE2 D:PHE105 4.9 72.8 1.0 C D:LYS104 4.9 63.7 1.0

M.G.Cuypers, P.J.Slavish, R.Dubois, Z.Rankovic, S.W.White. The Crystal Structure of Wild Type Pa Endonuclease (2009/H1N1/California) in Complex with Raltegravir To Be Published.