Fluorine in PDB 8f0s: Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296

The structure of Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296 (pdb code 8f0s). 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 VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296, PDB code: 8f0s:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1605 b:26.7 occ:1.00 F01 A:X801605 0.0 26.7 1.0 C11 A:X801605 1.3 26.7 1.0 C10 A:X801605 2.3 26.7 1.0 C12 A:X801605 2.4 26.7 1.0 O02 A:X801605 2.7 26.7 1.0 CE A:MET1248 3.0 28.3 1.0 S01 A:X801605 3.1 26.7 1.0 O03 A:X801605 3.2 26.7 1.0 CB A:ASN1206 3.5 22.5 1.0 SD A:MET1248 3.5 28.3 1.0 C09 A:X801605 3.6 26.7 1.0 C13 A:X801605 3.6 26.7 1.0 N03 A:X801605 3.6 26.7 1.0 C15 A:X801605 3.7 26.7 1.0 O A:TYR1203 4.0 25.5 1.0 CD1 A:ILE1210 4.0 22.8 1.0 C14 A:X801605 4.1 26.7 1.0 N A:VAL1207 4.2 22.5 1.0 C A:ASN1206 4.2 22.5 1.0 CG2 A:VAL1207 4.3 22.5 1.0 NH2 A:ARG1274 4.4 20.7 1.0 O01 A:X801605 4.4 26.7 1.0 CA A:ASN1206 4.5 22.5 1.0 CG A:ASN1206 4.5 22.5 1.0 O A:ASN1206 4.6 22.5 1.0 CA A:VAL1207 4.8 22.5 1.0 N02 A:X801605 4.8 26.7 1.0 C A:TYR1203 4.8 25.5 1.0 CA A:TYR1203 4.8 25.5 1.0

Fluorine binding site 2 out of 2 in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Hybrid Inhibitor Gne-9296 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1605 b:26.7 occ:1.00 F02 A:X801605 0.0 26.7 1.0 C27 A:X801605 1.3 26.7 1.0 C26 A:X801605 2.4 26.7 1.0 C16 A:X801605 2.4 26.7 1.0 O03 A:X801605 2.8 26.7 1.0 C15 A:X801605 2.9 26.7 1.0 NH1 A:ARG1274 3.0 20.7 1.0 CA A:SER1244 3.6 24.5 1.0 C19 A:X801605 3.6 26.7 1.0 C17 A:X801605 3.6 26.7 1.0 OG A:SER1244 3.8 24.5 1.0 CB A:SER1244 4.0 24.5 1.0 CA A:ARG1271 4.0 21.5 1.0 C18 A:X801605 4.1 26.7 1.0 N03 A:X801605 4.1 26.7 1.0 N A:ARG1271 4.2 21.5 1.0 CZ A:ARG1274 4.2 20.7 1.0 O A:ILE1243 4.3 24.1 1.0 O A:SER1244 4.3 24.5 1.0 N A:SER1244 4.4 24.5 1.0 O A:ALA1270 4.5 21.2 1.0 C A:ALA1270 4.5 21.2 1.0 C A:SER1244 4.5 24.5 1.0 NH2 A:ARG1274 4.6 20.7 1.0 CB A:ARG1271 4.6 21.5 1.0 CE A:MET1248 4.6 28.3 1.0 C A:ILE1243 4.6 24.1 1.0 CA A:GLY1247 4.6 28.2 1.0 CD1 A:ILE1210 4.7 22.8 1.0 O04 A:X801605 4.8 26.7 1.0 CG2 A:ILE1243 4.8 24.1 1.0 CG A:ARG1271 4.9 21.5 1.0

M.Kschonsak, C.C.Jao, C.P.Arthur, A.L.Rohou, P.Bergeron, D.F.Ortwine, S.J.Mckerrall, D.H.Hackos, L.Deng, J.Chen, T.Li, P.S.Dragovich, M.Volgraf, M.R.Wright, J.Payandeh, C.Ciferri, J.C.Tellis. Cryo-Em Reveals An Unprecedented Binding Site For Na V 1.7 Inhibitors Enabling Rational Design of Potent Hybrid Inhibitors. Elife V. 12 2023.
ISSN: ESSN 2050-084X
PubMed: 36975198
DOI: 10.7554/ELIFE.84151