Fluorine in PDB 8xqs: Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid.

All present enzymatic activity of Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid.:
3.2.1.18;

The binding sites of Fluorine atom in the Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid. (pdb code 8xqs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid., PDB code: 8xqs:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ R:F501 b:79.8 occ:1.00 F1 R:FLF501 0.0 79.8 1.0 C7' R:FLF501 1.3 84.8 1.0 F2 R:FLF501 2.1 85.4 1.0 F3 R:FLF501 2.1 85.1 1.0 C3' R:FLF501 2.3 82.2 1.0 C2' R:FLF501 2.8 77.0 1.0 CE1 R:PHE198 3.1 69.4 1.0 CD1 R:ILE202 3.2 60.6 1.0 C4' R:FLF501 3.6 79.9 1.0 CZ R:PHE198 3.8 66.7 1.0 CD1 R:PHE198 3.9 68.0 1.0 CG1 R:ILE202 4.1 60.6 1.0 C1' R:FLF501 4.1 74.1 1.0 C5' R:FLF501 4.7 78.3 1.0 CD2 R:LEU201 4.7 56.9 1.0 C5 R:FLF501 4.8 73.0 1.0 C6' R:FLF501 4.9 77.8 1.0 CG2 R:VAL230 4.9 94.7 1.0 CG R:LEU201 4.9 51.1 1.0 CE2 R:PHE198 5.0 63.5 1.0

Fluorine binding site 2 out of 3 in the Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ R:F501 b:85.4 occ:1.00 F2 R:FLF501 0.0 85.4 1.0 C7' R:FLF501 1.3 84.8 1.0 F1 R:FLF501 2.1 79.8 1.0 F3 R:FLF501 2.1 85.1 1.0 C3' R:FLF501 2.4 82.2 1.0 C2' R:FLF501 3.2 77.0 1.0 C4' R:FLF501 3.2 79.9 1.0 CD2 A:LEU353 3.2 50.4 1.0 CD2 R:LEU201 4.2 56.9 1.0 CG A:LEU353 4.4 49.5 1.0 C1' R:FLF501 4.4 74.1 1.0 C5' R:FLF501 4.4 78.3 1.0 CD1 R:ILE111 4.5 36.4 1.0 CG R:LEU201 4.6 51.1 1.0 CD1 A:LEU353 4.7 51.1 1.0 CD1 R:ILE202 4.7 60.6 1.0 C6' R:FLF501 4.9 77.8 1.0 CD2 A:LEU348 5.0 36.5 1.0

Fluorine binding site 3 out of 3 in the Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human Class T Gpcr TAS2R14-Dngi Complex with Flufenamic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ R:F501 b:85.1 occ:1.00 F3 R:FLF501 0.0 85.1 1.0 C7' R:FLF501 1.3 84.8 1.0 F1 R:FLF501 2.1 79.8 1.0 F2 R:FLF501 2.1 85.4 1.0 C3' R:FLF501 2.4 82.2 1.0 C4' R:FLF501 2.8 79.9 1.0 CG2 R:VAL230 3.2 94.7 1.0 C2' R:FLF501 3.6 77.0 1.0 CD2 A:LEU353 3.6 50.4 1.0 CB R:VAL230 4.1 97.9 1.0 CA R:VAL230 4.1 98.6 1.0 C5' R:FLF501 4.1 78.3 1.0 CD1 R:ILE202 4.4 60.6 1.0 CG1 R:VAL230 4.4 97.3 1.0 CG A:LEU353 4.7 49.5 1.0 C1' R:FLF501 4.7 74.1 1.0 N R:VAL230 4.7 96.8 1.0 CE1 R:PHE198 4.9 69.4 1.0 C6' R:FLF501 4.9 77.8 1.0

X.Hu, W.Ao, M.Gao, L.Wu, Y.Pei, S.Liu, Y.Wu, F.Zhao, Q.Sun, J.Liu, L.Jiang, X.Wang, Y.Li, Q.Tan, J.Cheng, F.Yang, C.Yang, J.Sun, T.Hua, Z.J.Liu. Bitter Taste TAS2R14 Activation By Intracellular Tastants and Cholesterol. Nature 2024.
ISSN: ESSN 1476-4687
PubMed: 38776963
DOI: 10.1038/S41586-024-07569-9