Fluorine in PDB 4or2: Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator

The structure of Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator, PDB code: 4or2 was solved by H.Wu, C.Wang, K.J.Gregory, G.W.Han, H.P.Cho, Y.Xia, C.M.Niswender, V.Katritch, V.Cherezov, P.J.Conn, R.C.Stevens, Gpcr Network (Gpcr), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.68 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.361, 86.552, 168.277, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 26.8

The binding sites of Fluorine atom in the Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator (pdb code 4or2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator, PDB code: 4or2:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:74.2 occ:1.00 F1 A:FM91901 0.0 74.2 1.0 C13 A:FM91901 1.3 73.6 1.0 C12 A:FM91901 2.3 73.3 1.0 C14 A:FM91901 2.4 74.6 1.0 CG2 A:ILE797 3.3 68.1 1.0 O A:THR794 3.4 69.8 1.0 N A:TRP798 3.5 69.5 1.0 CB A:SER822 3.6 66.4 1.0 CB A:ILE797 3.6 68.4 1.0 C15 A:FM91901 3.6 74.7 1.0 C11 A:FM91901 3.7 74.8 1.0 CA A:TRP798 3.8 69.9 1.0 CB A:TRP798 3.9 69.1 1.0 C A:ILE797 3.9 72.3 1.0 CG2 A:THR794 4.0 61.8 1.0 OG A:SER822 4.1 79.3 1.0 C10 A:FM91901 4.1 76.1 1.0 C A:THR794 4.3 69.7 1.0 CA A:ILE797 4.4 66.8 1.0 O A:ALA818 4.4 71.3 1.0 CA A:THR794 4.5 64.6 1.0 CD1 A:TRP798 4.6 73.0 1.0 O A:ILE797 4.6 72.8 1.0 CG A:TRP798 4.7 70.6 1.0 CD1 A:ILE764 4.7 79.2 1.0 CB A:THR794 4.8 67.1 1.0 OH A:TYR672 4.9 82.6 1.0 CG1 A:ILE797 4.9 68.1 1.0 CA A:SER822 4.9 63.8 1.0 CD1 A:ILE797 5.0 73.2 1.0

Fluorine binding site 2 out of 2 in the Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator within 5.0Å range: probe atom residue distance (Å) B Occ B:F1901 b:72.8 occ:1.00 F1 B:FM91901 0.0 72.8 1.0 C13 B:FM91901 1.3 72.6 1.0 C12 B:FM91901 2.3 71.8 1.0 C14 B:FM91901 2.4 73.7 1.0 O B:THR794 3.2 77.1 1.0 CG2 B:THR794 3.4 72.9 1.0 CB B:SER822 3.5 67.1 1.0 CG2 B:ILE797 3.6 70.9 1.0 C15 B:FM91901 3.6 73.5 1.0 CB B:ILE797 3.7 72.5 1.0 C11 B:FM91901 3.7 72.9 1.0 N B:TRP798 3.7 71.7 1.0 CB B:TRP798 4.0 69.8 1.0 C B:THR794 4.0 76.8 1.0 CA B:THR794 4.0 71.5 1.0 CA B:TRP798 4.1 71.3 1.0 OG B:SER822 4.1 71.9 1.0 C10 B:FM91901 4.2 74.1 1.0 C B:ILE797 4.2 74.4 1.0 CD1 B:ILE764 4.2 77.0 1.0 CB B:THR794 4.3 77.4 1.0 OH B:TYR672 4.3 75.6 1.0 CA B:ILE797 4.5 71.6 1.0 O B:ALA818 4.7 71.2 1.0 CA B:SER822 4.7 66.2 1.0 CD1 B:TRP798 4.7 72.1 1.0 CD1 B:ILE797 4.8 78.5 1.0 CG B:TRP798 4.8 70.4 1.0 CG1 B:ILE797 4.8 73.3 1.0 OG1 B:THR794 4.9 80.8 1.0

H.Wu, C.Wang, K.J.Gregory, G.W.Han, H.P.Cho, Y.Xia, C.M.Niswender, V.Katritch, V.Cherezov, P.J.Conn, R.C.Stevens. Human Class C G Protein-Coupled Metabotropic Glutamate Receptor 1 in Complex with A Negative Allosteric Modulator To Be Published.