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Fluorine in PDB 5u09: High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor

Protein crystallography data

The structure of High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor, PDB code: 5u09 was solved by Z.H.Shao, J.Yin, D.Rosenbaum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.652, 80.381, 81.178, 90.00, 91.72, 90.00
R / Rfree (%) 18 / 23.8

Other elements in 5u09:

The structure of High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor (pdb code 5u09). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor, PDB code: 5u09:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5u09

Go back to Fluorine Binding Sites List in 5u09
Fluorine binding site 1 out of 3 in the High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1210

b:36.4
occ:1.00
FAC A:7DY1210 0.0 36.4 1.0
CBJ A:7DY1210 1.4 41.1 1.0
FAD A:7DY1210 2.2 44.2 1.0
FAB A:7DY1210 2.2 42.5 1.0
CBH A:7DY1210 2.3 38.8 1.0
CBI A:7DY1210 3.1 42.6 1.0
CG2 A:ILE119 3.2 39.0 1.0
CBG A:7DY1210 3.3 35.5 1.0
CD1 A:ILE105 3.8 59.6 1.0
OG A:SER123 3.9 28.7 1.0
CE2 A:PHE174 4.3 61.3 1.0
NAH A:7DY1210 4.3 36.3 1.0
CG1 A:ILE105 4.4 67.8 1.0
CB A:ILE105 4.4 64.9 1.0
CBF A:7DY1210 4.5 42.5 1.0
CB A:ILE119 4.6 38.9 1.0
CD2 A:PHE174 4.7 57.4 1.0
CBD A:7DY1210 4.9 41.3 1.0
O A:HOH1316 4.9 25.9 1.0

Fluorine binding site 2 out of 3 in 5u09

Go back to Fluorine Binding Sites List in 5u09
Fluorine binding site 2 out of 3 in the High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1210

b:44.2
occ:1.00
FAD A:7DY1210 0.0 44.2 1.0
CBJ A:7DY1210 1.3 41.1 1.0
FAB A:7DY1210 2.1 42.5 1.0
CBH A:7DY1210 2.2 38.8 1.0
FAC A:7DY1210 2.2 36.4 1.0
CBI A:7DY1210 2.7 42.6 1.0
CBG A:7DY1210 3.3 35.5 1.0
OG A:SER123 3.4 28.7 1.0
CE1 A:PHE170 3.5 31.8 1.0
CZ A:PHE170 3.7 30.1 1.0
CE A:MET103 3.9 54.2 1.0
NAH A:7DY1210 4.0 36.3 1.0
CD2 A:PHE174 4.1 57.4 1.0
SD A:MET384 4.3 44.8 1.0
CE2 A:PHE174 4.3 61.3 1.0
CBF A:7DY1210 4.4 42.5 1.0
CB A:SER123 4.5 29.2 1.0
CE A:MET384 4.5 47.5 1.0
CD1 A:PHE170 4.6 30.9 1.0
CBD A:7DY1210 4.7 41.3 1.0
CG2 A:ILE119 4.7 39.0 1.0
CE2 A:PHE170 4.9 27.2 1.0
CG A:MET103 5.0 51.6 1.0

Fluorine binding site 3 out of 3 in 5u09

Go back to Fluorine Binding Sites List in 5u09
Fluorine binding site 3 out of 3 in the High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1210

b:42.5
occ:1.00
FAB A:7DY1210 0.0 42.5 1.0
CBJ A:7DY1210 1.4 41.1 1.0
FAD A:7DY1210 2.1 44.2 1.0
FAC A:7DY1210 2.2 36.4 1.0
CBH A:7DY1210 2.2 38.8 1.0
CBG A:7DY1210 2.5 35.5 1.0
CE A:MET384 3.0 47.5 1.0
OG A:SER123 3.1 28.7 1.0
SD A:MET384 3.2 44.8 1.0
CG2 A:ILE119 3.4 39.0 1.0
CBI A:7DY1210 3.5 42.6 1.0
CBF A:7DY1210 3.9 42.5 1.0
CG A:MET384 4.4 42.1 1.0
CB A:SER123 4.5 29.2 1.0
CZ A:PHE170 4.5 30.1 1.0
CE1 A:PHE170 4.5 31.8 1.0
CD1 A:ILE105 4.6 59.6 1.0
NAH A:7DY1210 4.6 36.3 1.0
CBD A:7DY1210 4.8 41.3 1.0
CB A:ILE119 4.9 38.9 1.0

Reference:

Z.Shao, J.Yin, K.Chapman, M.Grzemska, L.Clark, J.Wang, D.M.Rosenbaum. High-Resolution Crystal Structure of the Human CB1 Cannabinoid Receptor. Nature 2016.
ISSN: ESSN 1476-4687
PubMed: 27851727
DOI: 10.1038/NATURE20613
Page generated: Tue Jul 15 08:09:05 2025

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