Fluorine in PDB 9b9y: Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists

The structure of Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists (pdb code 9b9y). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists, PDB code: 9b9y:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists within 5.0Å range: probe atom residue distance (Å) B Occ R:F1201 b:112.7 occ:1.00 FAC R:7DY1201 0.0 112.7 1.0 CBJ R:7DY1201 1.4 112.7 1.0 FAB R:7DY1201 2.2 112.7 1.0 FAD R:7DY1201 2.2 112.7 1.0 CBH R:7DY1201 2.4 112.7 1.0 CBI R:7DY1201 3.0 112.7 1.0 CBG R:7DY1201 3.4 112.7 1.0 CG2 R:ILE119 3.5 126.3 1.0 NAH R:7DY1201 4.3 112.7 1.0 CBF R:7DY1201 4.5 112.7 1.0 CB R:ILE105 4.6 134.4 1.0 CG1 R:ILE105 4.7 134.4 1.0 CBD R:7DY1201 4.9 112.7 1.0 CD1 R:ILE105 4.9 134.4 1.0 CB R:ILE119 5.0 126.3 1.0

Fluorine binding site 2 out of 3 in the Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists within 5.0Å range: probe atom residue distance (Å) B Occ R:F1201 b:112.7 occ:1.00 FAD R:7DY1201 0.0 112.7 1.0 CBJ R:7DY1201 1.4 112.7 1.0 FAB R:7DY1201 2.2 112.7 1.0 FAC R:7DY1201 2.2 112.7 1.0 CBH R:7DY1201 2.4 112.7 1.0 CBI R:7DY1201 2.9 112.7 1.0 CBG R:7DY1201 3.5 112.7 1.0 SD R:MET103 4.0 126.2 1.0 NAH R:7DY1201 4.1 112.7 1.0 CG R:MET103 4.1 126.2 1.0 CE R:MET103 4.5 126.2 1.0 CZ R:PHE170 4.6 99.2 1.0 CE1 R:PHE170 4.6 99.2 1.0 CBF R:7DY1201 4.6 112.7 1.0 CB R:SER123 4.8 115.7 1.0 CBD R:7DY1201 4.9 112.7 1.0 CD1 R:PHE174 4.9 109.8 1.0 CG2 R:ILE119 5.0 126.3 1.0

Fluorine binding site 3 out of 3 in the Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists within 5.0Å range: probe atom residue distance (Å) B Occ R:F1201 b:112.7 occ:1.00 FAB R:7DY1201 0.0 112.7 1.0 CBJ R:7DY1201 1.4 112.7 1.0 FAC R:7DY1201 2.2 112.7 1.0 FAD R:7DY1201 2.2 112.7 1.0 CBH R:7DY1201 2.4 112.7 1.0 CBG R:7DY1201 2.7 112.7 1.0 SD R:MET384 3.3 112.2 1.0 CE R:MET384 3.6 112.2 1.0 CBI R:7DY1201 3.6 112.7 1.0 CG R:MET384 3.9 112.2 1.0 CBF R:7DY1201 4.1 112.7 1.0 CZ R:PHE170 4.6 99.2 1.0 NAH R:7DY1201 4.7 112.7 1.0 CE1 R:PHE170 4.7 99.2 1.0 CG2 R:ILE119 4.8 126.3 1.0 CB R:SER123 4.8 115.7 1.0 CBD R:7DY1201 4.9 112.7 1.0

P.Kumari, D.Szabolcs, M.D.Enos, K.Ramesh, D.Lim, S.A.Hassan, G.Kunos, M.R.Iyer, D.M.Rosenbaum. Structural Mechanism of CB1R Binding to Peripheral and Biased Inverse Agonists To Be Published.