Fluorine in PDB 8jr9: Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R)

The binding sites of Fluorine atom in the Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R) (pdb code 8jr9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R), PDB code: 8jr9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R) within 5.0Å range: probe atom residue distance (Å) B Occ R:F601 b:20.0 occ:1.00 F1 R:KHF601 0.0 20.0 1.0 C22 R:KHF601 1.4 20.0 1.0 F2 R:KHF601 2.2 20.0 1.0 F3 R:KHF601 2.2 20.0 1.0 O4 R:KHF601 2.2 20.0 1.0 C21 R:KHF601 3.5 20.0 1.0 H15 R:KHF601 4.2 20.0 1.0 H16 R:KHF601 4.3 20.0 1.0 C20 R:KHF601 4.3 20.0 1.0 C23 R:KHF601 4.3 20.0 1.0 CD1 R:ILE458 4.5 54.9 1.0

Fluorine binding site 2 out of 3 in the Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R) within 5.0Å range: probe atom residue distance (Å) B Occ R:F601 b:20.0 occ:1.00 F2 R:KHF601 0.0 20.0 1.0 C22 R:KHF601 1.4 20.0 1.0 F1 R:KHF601 2.2 20.0 1.0 F3 R:KHF601 2.2 20.0 1.0 O4 R:KHF601 2.2 20.0 1.0 H15 R:KHF601 2.4 20.0 1.0 C21 R:KHF601 2.9 20.0 1.0 C20 R:KHF601 2.9 20.0 1.0 O R:LEU411 3.9 56.2 1.0 C23 R:KHF601 4.2 20.0 1.0 CD2 R:LEU411 4.2 59.3 1.0 C19 R:KHF601 4.2 20.0 1.0 CD1 R:LEU411 4.6 62.7 1.0 H16 R:KHF601 4.6 20.0 1.0 C R:LEU411 4.7 56.9 1.0 H14 R:KHF601 4.7 20.0 1.0 CG R:LEU411 4.7 60.6 1.0 CB R:LEU411 4.7 57.9 1.0 CA R:LEU411 5.0 58.1 1.0

Fluorine binding site 3 out of 3 in the Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Small Molecule Agonist (PCO371) Bound to Human Parathyroid Hormone Receptor Type 1 (PTH1R) within 5.0Å range: probe atom residue distance (Å) B Occ R:F601 b:20.0 occ:1.00 F3 R:KHF601 0.0 20.0 1.0 C22 R:KHF601 1.4 20.0 1.0 F1 R:KHF601 2.2 20.0 1.0 F2 R:KHF601 2.2 20.0 1.0 O4 R:KHF601 2.2 20.0 1.0 C21 R:KHF601 2.6 20.0 1.0 C23 R:KHF601 3.2 20.0 1.0 C20 R:KHF601 3.2 20.0 1.0 H16 R:KHF601 3.4 20.0 1.0 H15 R:KHF601 3.4 20.0 1.0 O R:LEU411 3.6 56.2 1.0 CD1 R:ILE458 4.0 54.9 1.0 C24 R:KHF601 4.2 20.0 1.0 C19 R:KHF601 4.2 20.0 1.0 C R:LEU411 4.3 56.9 1.0 C18 R:KHF601 4.6 20.0 1.0 CG2 R:ILE458 4.6 52.3 1.0 CA R:VAL412 4.8 54.3 1.0 N R:VAL412 4.9 52.4 1.0 CB R:LEU411 5.0 57.9 1.0 H17 R:KHF601 5.0 20.0 1.0 H14 R:KHF601 5.0 20.0 1.0

L.Zhao, Q.He, Q.Yuan, Y.Gu, X.He, H.Shan, J.Li, K.Wang, Y.Li, W.Hu, K.Wu, J.Shen, H.E.Xu. A CRYO_EM Structure of Class B G Protein Coupled Receptors For 2 Orally Active Small Molecule Agonists To Be Published.