Fluorine in PDB 8gag: Cannabinoid Receptor 1-Gi Complex with Novel Ligand

The binding sites of Fluorine atom in the Cannabinoid Receptor 1-Gi Complex with Novel Ligand (pdb code 8gag). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cannabinoid Receptor 1-Gi Complex with Novel Ligand, PDB code: 8gag:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cannabinoid Receptor 1-Gi Complex with Novel Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cannabinoid Receptor 1-Gi Complex with Novel Ligand within 5.0Å range: probe atom residue distance (Å) B Occ R:F501 b:26.6 occ:1.00 F20 R:YVF501 0.0 26.6 1.0 C19 R:YVF501 1.4 26.6 1.0 F22 R:YVF501 2.2 26.6 1.0 F21 R:YVF501 2.2 26.6 1.0 C18 R:YVF501 2.3 26.6 1.0 C17 R:YVF501 2.6 26.6 1.0 CE1 R:PHE268 3.0 28.8 1.0 CZ R:PHE268 3.1 28.8 1.0 CD1 R:ILE271 3.2 28.7 1.0 CD1 R:PHE268 3.3 28.8 1.0 CD2 R:LEU276 3.4 25.8 1.0 CE2 R:PHE268 3.6 28.8 1.0 C23 R:YVF501 3.6 26.6 1.0 CG R:PHE268 3.8 28.8 1.0 CD2 R:PHE268 3.9 28.8 1.0 C16 R:YVF501 4.0 26.6 1.0 CG1 R:ILE271 4.6 28.7 1.0 C24 R:YVF501 4.7 26.6 1.0 CG R:LEU276 4.8 25.8 1.0 CB R:PHE268 4.8 28.8 1.0 N15 R:YVF501 4.8 26.6 1.0 C25 R:YVF501 4.9 26.6 1.0 CG2 R:ILE271 4.9 28.7 1.0 CD2 R:TYR275 5.0 26.9 1.0

Fluorine binding site 2 out of 3 in the Cannabinoid Receptor 1-Gi Complex with Novel Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cannabinoid Receptor 1-Gi Complex with Novel Ligand within 5.0Å range: probe atom residue distance (Å) B Occ R:F501 b:26.6 occ:1.00 F21 R:YVF501 0.0 26.6 1.0 C19 R:YVF501 1.4 26.6 1.0 F20 R:YVF501 2.2 26.6 1.0 F22 R:YVF501 2.2 26.6 1.0 C18 R:YVF501 2.4 26.6 1.0 C23 R:YVF501 3.0 26.6 1.0 CD2 R:LEU276 3.1 25.8 1.0 C17 R:YVF501 3.4 26.6 1.0 CD2 R:TYR275 4.1 26.9 1.0 CG R:TRP279 4.2 20.6 1.0 CB R:TRP279 4.2 20.6 1.0 CD2 R:TRP279 4.2 20.6 1.0 C24 R:YVF501 4.2 26.6 1.0 CE3 R:TRP279 4.4 20.6 1.0 CE1 R:PHE268 4.5 28.8 1.0 CE2 R:TYR275 4.6 26.9 1.0 C16 R:YVF501 4.6 26.6 1.0 CG R:LEU276 4.6 25.8 1.0 O R:TYR275 4.7 26.9 1.0 CZ R:PHE268 4.7 28.8 1.0 CD1 R:ILE271 4.7 28.7 1.0 CA R:LEU276 4.7 25.8 1.0 SD R:MET363 4.8 24.8 1.0 CD1 R:TRP279 4.8 20.6 1.0 CE R:MET363 4.9 24.8 1.0 CE2 R:TRP279 4.9 20.6 1.0 C25 R:YVF501 4.9 26.6 1.0 C R:TYR275 5.0 26.9 1.0

Fluorine binding site 3 out of 3 in the Cannabinoid Receptor 1-Gi Complex with Novel Ligand


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cannabinoid Receptor 1-Gi Complex with Novel Ligand within 5.0Å range: probe atom residue distance (Å) B Occ R:F501 b:26.6 occ:1.00 F22 R:YVF501 0.0 26.6 1.0 C19 R:YVF501 1.4 26.6 1.0 F20 R:YVF501 2.2 26.6 1.0 F21 R:YVF501 2.2 26.6 1.0 C18 R:YVF501 2.4 26.6 1.0 C23 R:YVF501 2.9 26.6 1.0 CD2 R:TYR275 3.1 26.9 1.0 CE2 R:TYR275 3.2 26.9 1.0 CD1 R:ILE271 3.3 28.7 1.0 C17 R:YVF501 3.4 26.6 1.0 OG1 R:THR197 4.0 17.2 1.0 C24 R:YVF501 4.2 26.6 1.0 CD2 R:LEU276 4.3 25.8 1.0 CG R:TYR275 4.4 26.9 1.0 CZ R:TYR275 4.6 26.9 1.0 C16 R:YVF501 4.6 26.6 1.0 CG1 R:ILE271 4.7 28.7 1.0 CG2 R:ILE271 4.7 28.7 1.0 C25 R:YVF501 4.9 26.6 1.0

T.A.Tummino, C.Iliopoulos-Tsoutsouvas, J.M.Braz, E.S.O'brien, K.Krishna Kumar, M.Makriyannis, A.I.Basbaum, B.K.Shoichet. Cannabinoid Receptor 1-Gi Complex with Novel Ligand To Be Published.