Fluorine in PDB 7eo4: Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312

The binding sites of Fluorine atom in the Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312 (pdb code 7eo4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312, PDB code: 7eo4:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:33.3 occ:1.00 F26 A:J8C401 0.0 33.3 1.0 C25 A:J8C401 1.4 33.3 1.0 F27 A:J8C401 2.1 33.3 1.0 F28 A:J8C401 2.1 33.3 1.0 C15 A:J8C401 2.6 33.3 1.0 O A:CYS206 2.7 30.3 1.0 C19 A:J8C401 2.9 33.3 1.0 C A:CYS206 2.9 30.3 1.0 CB A:CYS206 3.0 30.3 1.0 C16 A:J8C401 3.1 33.3 1.0 CA A:CYS206 3.5 30.3 1.0 N A:THR207 3.5 24.8 1.0 C14 A:J8C401 3.8 33.3 1.0 C24 A:J8C401 3.8 33.3 1.0 CB A:PHE210 3.9 27.2 1.0 CA A:THR207 3.9 24.8 1.0 C20 A:J8C401 4.0 33.3 1.0 C17 A:J8C401 4.4 33.3 1.0 SG A:CYS206 4.6 30.3 1.0 CG A:PHE210 4.7 27.2 1.0 OG1 A:THR207 4.8 24.8 1.0 N A:CYS206 4.8 30.3 1.0 N A:PHE210 4.9 27.2 1.0 C A:THR207 4.9 24.8 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:33.3 occ:1.00 F27 A:J8C401 0.0 33.3 1.0 C25 A:J8C401 1.4 33.3 1.0 F26 A:J8C401 2.1 33.3 1.0 F28 A:J8C401 2.1 33.3 1.0 C15 A:J8C401 2.5 33.3 1.0 C14 A:J8C401 2.9 33.3 1.0 CD1 A:LEU276 3.3 28.3 1.0 CB A:CYS206 3.4 30.3 1.0 C16 A:J8C401 3.7 33.3 1.0 C13 A:J8C401 4.3 33.3 1.0 C A:CYS206 4.3 30.3 1.0 C19 A:J8C401 4.3 33.3 1.0 CA A:CYS206 4.5 30.3 1.0 N A:THR207 4.5 24.8 1.0 SG A:CYS206 4.5 30.3 1.0 O A:CYS206 4.6 30.3 1.0 CG A:LEU276 4.7 28.3 1.0 C17 A:J8C401 4.8 33.3 1.0 O11 A:J8C401 4.9 33.3 1.0 O A:ILE203 4.9 28.1 1.0 CB A:LEU276 5.0 28.3 1.0 OG1 A:THR207 5.0 24.8 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em of Sphingosine 1-Phosphate Receptor 1 / Gi Complex Bound to BAF312 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:33.3 occ:1.00 F28 A:J8C401 0.0 33.3 1.0 C25 A:J8C401 1.4 33.3 1.0 F27 A:J8C401 2.1 33.3 1.0 F26 A:J8C401 2.1 33.3 1.0 C15 A:J8C401 2.5 33.3 1.0 C14 A:J8C401 3.1 33.3 1.0 C16 A:J8C401 3.5 33.3 1.0 CD1 A:LEU276 4.0 28.3 1.0 C19 A:J8C401 4.0 33.3 1.0 CD2 A:LEU272 4.2 26.8 1.0 C24 A:J8C401 4.4 33.3 1.0 C13 A:J8C401 4.4 33.3 1.0 CZ3 A:TRP269 4.5 26.1 1.0 CB A:PHE210 4.5 27.2 1.0 CG A:PHE210 4.6 27.2 1.0 C17 A:J8C401 4.7 33.3 1.0 O A:CYS206 4.7 30.3 1.0 CB A:CYS206 4.9 30.3 1.0 CD1 A:PHE210 4.9 27.2 1.0 CD1 A:PHE273 4.9 28.1 1.0 C A:CYS206 4.9 30.3 1.0 CD2 A:PHE210 5.0 27.2 1.0

Z.Xu, T.Ikuta, K.Kawakami, R.Kise, Y.Qian, R.Xia, M.X.Sun, A.Zhang, C.Guo, X.H.Cai, Z.Huang, A.Inoue, Y.He. Structural Basis of Sphingosine-1-Phosphate Receptor 1 Activation and Biased Agonism. Nat.Chem.Biol. 2021.
ISSN: ESSN 1552-4469
PubMed: 34937912
DOI: 10.1038/S41589-021-00930-3