Fluorine in PDB 8jt8: Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179

The structure of Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179, PDB code: 8jt8 was solved by Z.Chen, L.Fan, S.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.19 / 2.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	48.89, 54.03, 177.84, 90, 90, 90
R / Rfree (%)	24.8 / 27

The structure of Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179 (pdb code 8jt8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179, PDB code: 8jt8:

Fluorine binding site 1 out of 1 in the Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of 5-HT2AR in Complex with (R)-Ihch-7179 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:76.7 occ:1.00 F1 A:EZX1202 0.0 76.7 1.0 C21 A:EZX1202 1.4 75.7 1.0 C20 A:EZX1202 2.3 74.3 1.0 C22 A:EZX1202 2.3 71.6 1.0 CD1 A:PHE243 3.1 68.0 1.0 CE2 A:PHE332 3.1 55.1 1.0 CZ A:PHE332 3.3 56.5 1.0 CB A:ILE163 3.3 52.5 1.0 CG2 A:ILE163 3.4 57.8 1.0 C23 A:EZX1202 3.6 85.3 1.0 C19 A:EZX1202 3.6 82.2 1.0 CE1 A:PHE243 3.7 61.5 1.0 O A:SER159 3.7 40.1 1.0 CG1 A:ILE163 4.0 57.1 1.0 O A:SER242 4.0 66.0 1.0 C18 A:EZX1202 4.1 83.2 1.0 CG A:PHE243 4.2 73.1 1.0 C A:SER159 4.4 44.9 1.0 CD2 A:PHE332 4.4 54.1 1.0 CB A:PHE243 4.4 75.1 1.0 CA A:ILE163 4.5 46.0 1.0 CE1 A:PHE332 4.6 53.3 1.0 N A:ILE163 4.6 45.9 1.0 CD1 A:ILE163 4.7 65.7 1.0 CA A:PHE243 4.7 66.7 1.0 CZ A:PHE340 4.8 68.3 1.0 CB A:SER159 4.9 52.2 1.0 N A:THR160 4.9 41.2 1.0 CA A:THR160 4.9 42.5 1.0 CE2 A:PHE340 4.9 71.2 1.0

Z.Chen, J.Yu, H.Wang, P.Xu, L.Fan, P.Zhang, H.Huang, S.Gu, B.Zhang, Y.Zhou, X.Wan, G.Pei, H.Xu, J.Cheng, S.Wang. Flexible Scaffold-Based Cheminformatics Approach For Polypharmacological Drug Design To Be Published.