Fluorine in PDB 7td4: Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod

The binding sites of Fluorine atom in the Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod (pdb code 7td4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod, PDB code: 7td4:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod within 5.0Å range: probe atom residue distance (Å) B Occ R:F402 b:43.9 occ:1.00 F26 R:J8C402 0.0 43.9 1.0 C25 R:J8C402 1.3 43.9 1.0 F28 R:J8C402 2.1 43.9 1.0 F27 R:J8C402 2.1 43.9 1.0 C15 R:J8C402 2.4 43.9 1.0 C19 R:J8C402 2.8 43.9 1.0 C16 R:J8C402 2.9 43.9 1.0 C20 R:J8C402 2.9 43.9 1.0 O R:CYS206 3.0 40.8 1.0 C R:CYS206 3.2 40.8 1.0 CB R:CYS206 3.4 40.8 1.0 C14 R:J8C402 3.5 43.9 1.0 N R:THR207 3.6 42.0 1.0 C21 R:J8C402 3.8 43.9 1.0 CA R:CYS206 3.8 40.8 1.0 CA R:THR207 3.9 42.0 1.0 CB R:PHE210 4.1 39.4 1.0 C17 R:J8C402 4.2 43.9 1.0 C24 R:J8C402 4.2 43.9 1.0 CG2 R:THR207 4.4 42.0 1.0 C13 R:J8C402 4.7 43.9 1.0 SG R:CYS206 4.8 40.8 1.0 CB R:THR207 4.8 42.0 1.0 CG R:PHE210 4.8 39.4 1.0 C23 R:J8C402 4.8 43.9 1.0 CD1 R:LEU276 4.9 44.4 1.0 C22 R:J8C402 4.9 43.9 1.0 C R:THR207 5.0 42.0 1.0 C18 R:J8C402 5.0 43.9 1.0

Fluorine binding site 2 out of 3 in the Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod within 5.0Å range: probe atom residue distance (Å) B Occ R:F402 b:43.9 occ:1.00 F27 R:J8C402 0.0 43.9 1.0 C25 R:J8C402 1.3 43.9 1.0 F26 R:J8C402 2.1 43.9 1.0 F28 R:J8C402 2.1 43.9 1.0 C15 R:J8C402 2.4 43.9 1.0 C14 R:J8C402 3.2 43.9 1.0 C16 R:J8C402 3.2 43.9 1.0 C19 R:J8C402 3.5 43.9 1.0 CZ3 R:TRP269 3.8 40.5 1.0 CD1 R:LEU276 4.1 44.4 1.0 CB R:PHE210 4.2 39.4 1.0 CG R:PHE210 4.3 39.4 1.0 CD1 R:PHE210 4.3 39.4 1.0 CE3 R:TRP269 4.4 40.5 1.0 C20 R:J8C402 4.4 43.9 1.0 C13 R:J8C402 4.4 43.9 1.0 C17 R:J8C402 4.5 43.9 1.0 C24 R:J8C402 4.6 43.9 1.0 O R:CYS206 4.7 40.8 1.0 CG2 R:THR207 4.8 42.0 1.0 CH2 R:TRP269 4.8 40.5 1.0 CA R:THR207 4.9 42.0 1.0 C18 R:J8C402 4.9 43.9 1.0 CD2 R:PHE210 5.0 39.4 1.0

Fluorine binding site 3 out of 3 in the Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Sphingosine-1-Phosphate Receptor 1-Gi Complex Bound to Siponimod within 5.0Å range: probe atom residue distance (Å) B Occ R:F402 b:43.9 occ:1.00 F28 R:J8C402 0.0 43.9 1.0 C25 R:J8C402 1.3 43.9 1.0 F26 R:J8C402 2.1 43.9 1.0 F27 R:J8C402 2.1 43.9 1.0 C15 R:J8C402 2.3 43.9 1.0 C14 R:J8C402 2.7 43.9 1.0 CD1 R:LEU276 2.8 44.4 1.0 C16 R:J8C402 3.6 43.9 1.0 CG2 R:THR207 4.1 42.0 1.0 C13 R:J8C402 4.1 43.9 1.0 CB R:CYS206 4.2 40.8 1.0 CG R:LEU276 4.2 44.4 1.0 C19 R:J8C402 4.3 43.9 1.0 N R:THR207 4.5 42.0 1.0 CE2 R:PHE125 4.6 41.3 1.0 C R:CYS206 4.6 40.8 1.0 CB R:LEU276 4.6 44.4 1.0 C17 R:J8C402 4.7 43.9 1.0 C20 R:J8C402 4.7 43.9 1.0 CA R:THR207 4.7 42.0 1.0 O11 R:J8C402 4.8 43.9 1.0 O R:CYS206 4.8 40.8 1.0 CZ R:PHE125 4.9 41.3 1.0 C18 R:J8C402 4.9 43.9 1.0

S.Liu, N.Paknejad, L.Zhu, Y.Kihara, M.Ray, J.Chun, W.Liu, R.K.Hite, X.Y.Huang. Differential Activation Mechanisms of Lipid Gpcrs By Lysophosphatidic Acid and Sphingosine 1-Phosphate. Nat Commun V. 13 731 2022.
ISSN: ESSN 2041-1723
PubMed: 35136060
DOI: 10.1038/S41467-022-28417-2