Fluorine in PDB 8tb7: Cryo-Em Structure of GPR61-

The binding sites of Fluorine atom in the Cryo-Em Structure of GPR61- (pdb code 8tb7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Cryo-Em Structure of GPR61-, PDB code: 8tb7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Cryo-Em Structure of GPR61-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of GPR61- within 5.0Å range: probe atom residue distance (Å) B Occ R:F601 b:89.0 occ:1.00 F34 R:ZOB601 0.0 89.0 1.0 C33 R:ZOB601 1.4 89.0 1.0 C28 R:ZOB601 2.3 89.0 1.0 C32 R:ZOB601 2.4 89.0 1.0 H56 R:ZOB601 2.6 89.0 1.0 H59 R:ZOB601 2.6 89.0 1.0 HD12 R:ILE233 2.7 92.3 1.0 HG23 R:ILE233 2.7 92.3 1.0 OD1 R:ASN146 2.8 88.2 1.0 C27 R:ZOB601 2.8 89.0 1.0 H55 R:ZOB601 2.8 89.0 1.0 HG21 R:VAL236 3.0 88.5 1.0 HB3 R:ASN146 3.2 88.2 1.0 N26 R:ZOB601 3.3 89.0 1.0 HG21 R:VAL373 3.3 90.7 1.0 CG R:ASN146 3.6 88.2 1.0 C29 R:ZOB601 3.6 89.0 1.0 CD1 R:ILE233 3.6 92.3 1.0 HA R:ILE233 3.6 92.3 1.0 N31 R:ZOB601 3.6 89.0 1.0 HG23 R:VAL236 3.6 88.5 1.0 CG2 R:ILE233 3.7 92.3 1.0 HG11 R:VAL373 3.7 90.7 1.0 CG2 R:VAL236 3.7 88.5 1.0 HD13 R:ILE233 3.7 92.3 1.0 H57 R:ZOB601 3.8 89.0 1.0 CB R:ASN146 3.9 88.2 1.0 C30 R:ZOB601 4.0 89.0 1.0 HG22 R:VAL236 4.1 88.5 1.0 HG21 R:ILE233 4.1 92.3 1.0 HD11 R:ILE233 4.1 92.3 1.0 HG22 R:ILE233 4.2 92.3 1.0 CG2 R:VAL373 4.2 90.7 1.0 CA R:ILE233 4.4 92.3 1.0 CB R:ILE233 4.4 92.3 1.0 HA R:ASN146 4.4 88.2 1.0 HG23 R:VAL373 4.5 90.7 1.0 CG1 R:ILE233 4.5 92.3 1.0 HB R:VAL373 4.5 90.7 1.0 CG1 R:VAL373 4.5 90.7 1.0 HB2 R:ASN146 4.6 88.2 1.0 C21 R:ZOB601 4.6 89.0 1.0 ND2 R:ASN146 4.6 88.2 1.0 F35 R:ZOB601 4.7 89.0 1.0 CB R:VAL373 4.7 90.7 1.0 HG13 R:ILE233 4.7 92.3 1.0 CA R:ASN146 4.8 88.2 1.0 HG22 R:VAL373 4.8 90.7 1.0 O R:ILE233 4.8 92.3 1.0 HD22 R:ASN146 4.8 88.2 1.0 HG22 R:VAL369 4.9 87.8 1.0 HA R:LEU370 4.9 88.2 1.0 HB R:VAL236 5.0 88.5 1.0 CB R:VAL236 5.0 88.5 1.0 HG12 R:VAL373 5.0 90.7 1.0

Fluorine binding site 2 out of 2 in the Cryo-Em Structure of GPR61-


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of GPR61- within 5.0Å range: probe atom residue distance (Å) B Occ R:F601 b:89.0 occ:1.00 F35 R:ZOB601 0.0 89.0 1.0 C29 R:ZOB601 1.4 89.0 1.0 C28 R:ZOB601 2.3 89.0 1.0 C30 R:ZOB601 2.4 89.0 1.0 H57 R:ZOB601 2.5 89.0 1.0 H54 R:ZOB601 2.6 89.0 1.0 H58 R:ZOB601 2.6 89.0 1.0 HE3 R:MET240 2.7 84.4 1.0 HG11 R:VAL369 2.8 87.8 1.0 HE1 R:MET240 2.8 84.4 1.0 C27 R:ZOB601 2.8 89.0 1.0 CE R:MET240 2.9 84.4 1.0 SD R:MET240 3.0 84.4 1.0 N22 R:ZOB601 3.2 89.0 1.0 H53 R:ZOB601 3.3 89.0 1.0 HG13 R:VAL369 3.3 87.8 1.0 C25 R:ZOB601 3.4 89.0 1.0 CG1 R:VAL369 3.5 87.8 1.0 C33 R:ZOB601 3.6 89.0 1.0 N31 R:ZOB601 3.6 89.0 1.0 N26 R:ZOB601 3.6 89.0 1.0 HG21 R:VAL369 3.7 87.8 1.0 H56 R:ZOB601 3.7 89.0 1.0 C21 R:ZOB601 3.9 89.0 1.0 HE2 R:MET240 3.9 84.4 1.0 C32 R:ZOB601 4.0 89.0 1.0 H52 R:ZOB601 4.1 89.0 1.0 HG22 R:VAL369 4.1 87.8 1.0 HG12 R:VAL369 4.2 87.8 1.0 C23 R:ZOB601 4.2 89.0 1.0 CG2 R:VAL369 4.2 87.8 1.0 O24 R:ZOB601 4.3 89.0 1.0 H55 R:ZOB601 4.3 89.0 1.0 CB R:VAL369 4.5 87.8 1.0 CG R:MET240 4.5 84.4 1.0 HA R:ALA366 4.6 87.2 1.0 HG3 R:MET240 4.6 84.4 1.0 F34 R:ZOB601 4.7 89.0 1.0 HB R:VAL369 4.8 87.8 1.0 HG11 R:VAL153 4.9 87.5 1.0 HB3 R:ALA366 5.0 87.2 1.0

J.A.Lees, J.M.Dias, F.Rajamohan, J.P.Fortin, R.O'connor, J.X.Kong, E.A.G.Hughes, E.L.Fisher, J.B.Tuttle, G.Lovett, B.L.Kormos, R.J.Unwalla, L.Zhang, A.M.Dechert Schmitt, D.Zhou, M.Moran, K.A.Stevens, K.F.Fennell, A.E.Varghese, A.Maxwell, E.E.Cote, Y.Zhang, S.Han. An Inverse Agonist of Orphan Receptor GPR61 Acts By A G Protein-Competitive Allosteric Mechanism. Nat Commun V. 14 5938 2023.
ISSN: ESSN 2041-1723
PubMed: 37741852
DOI: 10.1038/S41467-023-41646-3