Fluorine in PDB 8hmp: GPR52 with Gs and C17

The binding sites of Fluorine atom in the GPR52 with Gs and C17 (pdb code 8hmp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the GPR52 with Gs and C17, PDB code: 8hmp:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the GPR52 with Gs and C17


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of GPR52 with Gs and C17 within 5.0Å range: probe atom residue distance (Å) B Occ R:F401 b:94.2 occ:1.00 F1 R:EN6401 0.0 94.2 1.0 C16 R:EN6401 1.3 94.2 1.0 F2 R:EN6401 2.1 94.2 1.0 F3 R:EN6401 2.1 94.2 1.0 C14 R:EN6401 2.4 94.2 1.0 C15 R:EN6401 3.1 94.2 1.0 CZ R:PHE117 3.2 83.2 1.0 CG2 R:ILE189 3.3 91.3 1.0 CD1 R:ILE189 3.3 91.3 1.0 C13 R:EN6401 3.4 94.2 1.0 CG1 R:ILE189 3.8 91.3 1.0 O R:HIS186 3.8 81.3 1.0 CE2 R:PHE117 3.9 83.2 1.0 CG2 R:THR98 4.0 105.2 1.0 CB R:ILE189 4.1 91.3 1.0 CE1 R:PHE117 4.2 83.2 1.0 SG R:CYS94 4.4 98.2 1.0 C10 R:EN6401 4.4 94.2 1.0 CG2 R:ILE47 4.5 103.8 1.0 C12 R:EN6401 4.6 94.2 1.0 O R:CYS94 4.8 98.2 1.0 CD1 R:ILE47 4.8 103.8 1.0 CB R:CYS94 4.8 98.2 1.0 CD1 R:ILE307 4.9 87.5 1.0 C R:HIS186 4.9 81.3 1.0 C11 R:EN6401 5.0 94.2 1.0

Fluorine binding site 2 out of 3 in the GPR52 with Gs and C17


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of GPR52 with Gs and C17 within 5.0Å range: probe atom residue distance (Å) B Occ R:F401 b:94.2 occ:1.00 F2 R:EN6401 0.0 94.2 1.0 C16 R:EN6401 1.3 94.2 1.0 F1 R:EN6401 2.1 94.2 1.0 F3 R:EN6401 2.1 94.2 1.0 C14 R:EN6401 2.4 94.2 1.0 C15 R:EN6401 3.0 94.2 1.0 CZ R:PHE117 3.2 83.2 1.0 O R:HIS186 3.3 81.3 1.0 CD1 R:ILE307 3.4 87.5 1.0 C13 R:EN6401 3.5 94.2 1.0 SG R:CYS94 3.6 98.2 1.0 CE2 R:PHE117 3.7 83.2 1.0 C R:HIS186 4.0 81.3 1.0 CB R:HIS186 4.1 81.3 1.0 ND1 R:HIS186 4.1 81.3 1.0 CA R:HIS186 4.1 81.3 1.0 CE1 R:PHE117 4.2 83.2 1.0 C10 R:EN6401 4.3 94.2 1.0 CG R:HIS186 4.5 81.3 1.0 C12 R:EN6401 4.7 94.2 1.0 CG2 R:ILE121 4.7 74.2 1.0 CB R:CYS94 4.7 98.2 1.0 CG1 R:ILE121 4.8 74.2 1.0 CG1 R:ILE307 4.8 87.5 1.0 CG2 R:ILE189 4.9 91.3 1.0 CD1 R:ILE189 4.9 91.3 1.0 C11 R:EN6401 5.0 94.2 1.0

Fluorine binding site 3 out of 3 in the GPR52 with Gs and C17


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of GPR52 with Gs and C17 within 5.0Å range: probe atom residue distance (Å) B Occ R:F401 b:94.2 occ:1.00 F3 R:EN6401 0.0 94.2 1.0 C16 R:EN6401 1.3 94.2 1.0 F2 R:EN6401 2.1 94.2 1.0 F1 R:EN6401 2.1 94.2 1.0 C14 R:EN6401 2.4 94.2 1.0 C13 R:EN6401 2.7 94.2 1.0 SG R:CYS94 3.1 98.2 1.0 CD1 R:ILE307 3.2 87.5 1.0 CB R:CYS94 3.6 98.2 1.0 C15 R:EN6401 3.7 94.2 1.0 CG2 R:ILE47 3.9 103.8 1.0 C12 R:EN6401 4.1 94.2 1.0 CZ R:PHE117 4.3 83.2 1.0 CA R:CYS94 4.4 98.2 1.0 O R:CYS94 4.6 98.2 1.0 CG1 R:ILE307 4.6 87.5 1.0 C10 R:EN6401 4.8 94.2 1.0 C R:CYS94 4.9 98.2 1.0 C11 R:EN6401 4.9 94.2 1.0 CG2 R:THR98 5.0 105.2 1.0 CG2 R:ILE307 5.0 87.5 1.0 CD1 R:ILE47 5.0 103.8 1.0

Y.Fan, X.Lin, B.Pan, B.Chen, D.Liu, K.Wuthrich, F.Xu. Allosteric Coupling Between G-Protein Binding and Extracellular Ligand Binding Sites in GPR52 Revealed By 19 F-uc(Nmr) and Cryo-Electron Microscopy. Medcomm (2020) V. 4 E260 2023.
ISSN: ISSN 2688-2663
PubMed: 37051308
DOI: 10.1002/MCO2.260