Fluorine in PDB 8ju5: Structure of Human TRPV4 with Antagonist A1

The structure of Structure of Human TRPV4 with Antagonist A1 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Structure of Human TRPV4 with Antagonist A1 (pdb code 8ju5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Human TRPV4 with Antagonist A1, PDB code: 8ju5:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Human TRPV4 with Antagonist A1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human TRPV4 with Antagonist A1 within 5.0Å range: probe atom residue distance (Å) B Occ D:F1201 b:68.8 occ:1.00 F02 D:F3L1201 0.0 68.8 1.0 C01 D:F3L1201 1.4 68.8 1.0 C26 D:F3L1201 2.5 68.8 1.0 C03 D:F3L1201 2.5 68.8 1.0 ND2 D:ASN474 3.0 60.1 1.0 C27 D:F3L1201 3.0 68.8 1.0 CE2 D:TYR591 3.1 70.4 1.0 OH D:TYR591 3.4 70.4 1.0 CE1 D:PHE592 3.5 63.0 1.0 CZ D:TYR591 3.5 70.4 1.0 N28 D:F3L1201 3.7 68.8 1.0 C25 D:F3L1201 3.9 68.8 1.0 C04 D:F3L1201 3.9 68.8 1.0 CD2 D:TYR591 4.1 70.4 1.0 CD1 D:PHE592 4.1 63.0 1.0 CG D:ASN474 4.3 60.1 1.0 CG2 D:THR740 4.3 70.7 1.0 CZ D:PHE592 4.4 63.0 1.0 C24 D:F3L1201 4.5 68.8 1.0 CD1 D:PHE471 4.6 60.4 1.0 CE1 D:TYR591 4.7 70.4 1.0 CE1 D:PHE471 4.7 60.4 1.0 C12 D:F3L1201 4.9 68.8 1.0 CB D:ASN474 4.9 60.1 1.0 CL14 D:F3L1201 5.0 68.8 1.0

Fluorine binding site 2 out of 2 in the Structure of Human TRPV4 with Antagonist A1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human TRPV4 with Antagonist A1 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:64.2 occ:1.00 F02 B:F3L1201 0.0 64.2 1.0 C01 B:F3L1201 1.4 64.2 1.0 ND2 B:ASN474 2.4 61.1 1.0 C03 B:F3L1201 2.5 64.2 1.0 C26 B:F3L1201 2.5 64.2 1.0 C27 B:F3L1201 3.0 64.2 1.0 CE1 B:PHE592 3.1 61.3 1.0 CG B:ASN474 3.6 61.1 1.0 CD1 B:PHE592 3.6 61.3 1.0 N28 B:F3L1201 3.7 64.2 1.0 C04 B:F3L1201 3.9 64.2 1.0 C25 B:F3L1201 3.9 64.2 1.0 CZ B:PHE592 4.1 61.3 1.0 CD1 B:PHE471 4.1 64.8 1.0 CB B:ASN474 4.1 61.1 1.0 CE1 B:PHE471 4.4 64.8 1.0 CE2 B:TYR591 4.4 69.5 1.0 C24 B:F3L1201 4.5 64.2 1.0 CG2 B:THR740 4.5 74.7 1.0 C15 B:F3L1201 4.5 64.2 1.0 OD1 B:ASN474 4.6 61.1 1.0 CZ B:TYR591 4.8 69.5 1.0 CD2 B:TYR591 4.9 69.5 1.0 OH B:TYR591 4.9 69.5 1.0 CG B:PHE592 5.0 61.3 1.0

J.Fan, C.Guo, D.Liao, H.Ke, J.Lei, W.Xie, Y.Tang, M.Tominaga, Z.Huang, X.Lei. Structural Pharmacology of TRPV4 Antagonists. Adv Sci 01583 2024.
ISSN: ESSN 2198-3844
PubMed: 38659239
DOI: 10.1002/ADVS.202401583