Fluorine in PDB 7wc8: Crystal Structure of Serotonin 2A Receptor in Complex with Lumateperone

The structure of Crystal Structure of Serotonin 2A Receptor in Complex with Lumateperone, PDB code: 7wc8 was solved by D.Cao, J.Yu, H.Wang, Z.Luo, X.Liu, L.He, J.Qi, L.Fan, L.Tang, Z.Chen, J.Li, J.Cheng, S.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.70 / 2.45
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	49.47, 55.33, 179.97, 90, 90, 90
R / Rfree (%)	21.9 / 24.4

The structure of Crystal Structure of Serotonin 2A Receptor in Complex with Lumateperone also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Serotonin 2A Receptor in Complex with Lumateperone (pdb code 7wc8). 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 Serotonin 2A Receptor in Complex with Lumateperone, PDB code: 7wc8:

Fluorine binding site 1 out of 1 in the Crystal Structure of Serotonin 2A Receptor in Complex with Lumateperone


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 Serotonin 2A Receptor in Complex with Lumateperone within 5.0Å range: probe atom residue distance (Å) B Occ A:F1207 b:58.0 occ:1.00 F1 A:92S1207 0.0 58.0 1.0 C11 A:92S1207 1.4 55.2 1.0 C12 A:92S1207 2.3 56.5 1.0 C10 A:92S1207 2.3 60.9 1.0 CE2 A:PHE332 3.1 59.8 1.0 CB A:ILE163 3.3 64.4 1.0 CD1 A:PHE243 3.3 59.1 1.0 CG2 A:ILE163 3.4 57.4 1.0 CZ A:PHE332 3.4 57.9 1.0 C13 A:92S1207 3.6 60.4 1.0 O A:SER242 3.6 66.2 1.0 C9 A:92S1207 3.6 67.0 1.0 O A:SER159 3.8 64.4 1.0 CG1 A:ILE163 3.8 68.2 1.0 CE1 A:PHE243 3.9 56.1 1.0 C8 A:92S1207 4.1 54.2 1.0 CD1 A:ILE163 4.3 77.5 1.0 CG A:PHE243 4.3 64.1 1.0 CD2 A:PHE332 4.4 56.3 1.0 CA A:PHE243 4.5 63.7 1.0 CB A:PHE243 4.5 61.7 1.0 CA A:ILE163 4.6 65.9 1.0 C A:SER159 4.6 58.9 1.0 C A:SER242 4.7 62.1 1.0 CE1 A:PHE332 4.7 63.4 1.0 N A:ILE163 4.8 56.3 1.0 CE2 A:PHE340 4.9 63.1 1.0

D.Cao, J.Yu, H.Wang, Z.Luo, X.Liu, L.He, J.Qi, L.Fan, L.Tang, Z.Chen, J.Li, J.Cheng, S.Wang. Structure-Based Discovery of Nonhallucinogenic Psychedelic Analogs. Science V. 375 403 2022.
ISSN: ESSN 1095-9203
PubMed: 35084960
DOI: 10.1126/SCIENCE.ABL8615