Fluorine in PDB 8f0r: Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565

The structure of Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565 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 Arylsulfonamide Inhibitor Gne-3565 (pdb code 8f0r). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565, PDB code: 8f0r:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565


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 Arylsulfonamide Inhibitor Gne-3565 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1606 b:19.7 occ:1.00 F01 A:X7W1606 0.0 19.7 1.0 C11 A:X7W1606 1.4 13.4 1.0 C12 A:X7W1606 2.4 13.8 1.0 C10 A:X7W1606 2.4 13.1 1.0 N03 A:X7W1606 2.9 20.6 1.0 S01 A:X7W1606 3.0 9.0 1.0 CB A:ASN1206 3.1 19.1 1.0 O02 A:X7W1606 3.2 19.2 1.0 C13 A:X7W1606 3.6 13.6 1.0 C09 A:X7W1606 3.7 14.8 1.0 O A:TYR1203 3.7 27.5 1.0 N A:VAL1207 4.0 13.5 1.0 C A:ASN1206 4.1 14.2 1.0 C15 A:X7W1606 4.1 19.4 1.0 C14 A:X7W1606 4.1 13.7 1.0 CG A:ASN1206 4.1 17.3 1.0 CG2 A:VAL1207 4.1 23.2 1.0 CD1 A:ILE1210 4.2 19.3 1.0 CA A:ASN1206 4.2 16.3 1.0 O A:ASN1206 4.5 22.8 1.0 O01 A:X7W1606 4.6 22.7 1.0 C A:TYR1203 4.6 18.6 1.0 NH2 A:ARG1274 4.6 17.3 1.0 CA A:VAL1207 4.6 14.3 1.0 CA A:TYR1203 4.6 16.6 1.0 OD1 A:ASN1206 4.7 17.4 1.0 C18 A:X7W1606 4.7 10.7 1.0 ND2 A:ASN1206 4.8 19.5 1.0 N04 A:X7W1606 4.8 14.8 1.0 N02 A:X7W1606 4.9 13.9 1.0

Fluorine binding site 2 out of 4 in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565


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 Arylsulfonamide Inhibitor Gne-3565 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1606 b:24.5 occ:1.00 F02 A:X7W1606 0.0 24.5 1.0 C25 A:X7W1606 1.4 21.2 1.0 F03 A:X7W1606 2.2 20.6 1.0 F04 A:X7W1606 2.2 23.9 1.0 C21 A:X7W1606 2.4 14.8 1.0 C20 A:X7W1606 2.7 16.5 1.0 CG1 A:VAL1207 3.0 15.3 1.0 C22 A:X7W1606 3.6 14.6 1.0 CE A:MET1248 3.8 22.5 1.0 CD1 A:ILE1211 3.8 17.2 1.0 C19 A:X7W1606 4.1 12.3 1.0 CB A:VAL1207 4.4 14.3 1.0 CZ3 A:TRP1204 4.5 21.2 1.0 CG1 A:ILE1211 4.6 19.4 1.0 C23 A:X7W1606 4.8 17.6 1.0 CG2 A:VAL1207 4.8 23.2 1.0 C24 A:X7W1606 4.9 15.1 1.0

Fluorine binding site 3 out of 4 in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1606 b:20.6 occ:1.00 F03 A:X7W1606 0.0 20.6 1.0 C25 A:X7W1606 1.4 21.2 1.0 F02 A:X7W1606 2.2 24.5 1.0 F04 A:X7W1606 2.2 23.9 1.0 C21 A:X7W1606 2.4 14.8 1.0 C22 A:X7W1606 3.0 14.6 1.0 C20 A:X7W1606 3.4 16.5 1.0 CE A:MET1248 4.2 22.5 1.0 C23 A:X7W1606 4.3 17.6 1.0 CZ A:PHE1249 4.3 19.0 1.0 C19 A:X7W1606 4.5 12.3 1.0 CD1 A:ILE1211 4.7 17.2 1.0 CE2 A:PHE1249 4.8 19.1 1.0 C24 A:X7W1606 4.9 15.1 1.0

Fluorine binding site 4 out of 4 in the Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of VSD4-NAV1.7-Navpas Channel Chimera Bound to the Arylsulfonamide Inhibitor Gne-3565 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1606 b:23.9 occ:1.00 F04 A:X7W1606 0.0 23.9 1.0 C25 A:X7W1606 1.4 21.2 1.0 F02 A:X7W1606 2.2 24.5 1.0 F03 A:X7W1606 2.2 20.6 1.0 C21 A:X7W1606 2.4 14.8 1.0 C22 A:X7W1606 2.9 14.6 1.0 C20 A:X7W1606 3.5 16.5 1.0 C23 A:X7W1606 4.2 17.6 1.0 C19 A:X7W1606 4.6 12.3 1.0 CD1 A:ILE1211 4.6 17.2 1.0 CZ3 A:TRP1204 4.7 21.2 1.0 CG1 A:VAL1207 4.9 15.3 1.0 C24 A:X7W1606 4.9 15.1 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