Fluorine in PDB 6mvx: Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide

The structure of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide, PDB code: 6mvx was solved by M.J.Lenaeus, W.A.Catterall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 3.46
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	177.525, 177.687, 192.923, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 26.3

The binding sites of Fluorine atom in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide (pdb code 6mvx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide, PDB code: 6mvx:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1304 b:0.1 occ:1.00 F01 A:K4D1304 0.0 0.1 1.0 C02 A:K4D1304 1.3 0.7 1.0 F03 A:K4D1304 2.2 0.4 1.0 F04 A:K4D1304 2.2 0.2 1.0 C05 A:K4D1304 2.3 0.4 1.0 CE A:MET1174 3.1 55.5 1.0 CE A:MET1209 3.3 0.3 1.0 O06 A:K4D1304 3.6 0.3 1.0 SD A:MET1209 4.2 0.3 1.0 SD A:MET1174 4.4 74.7 1.0 CG A:MET1174 4.4 76.7 1.0 OG1 B:THR2206 4.5 0.8 1.0 CG A:MET1209 4.6 0.7 1.0 C07 A:K4D1304 4.7 0.1 1.0 CG2 B:THR2206 4.8 0.5 1.0 C28 A:K4D1304 4.8 0.9 1.0

Fluorine binding site 2 out of 6 in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1304 b:0.4 occ:1.00 F03 A:K4D1304 0.0 0.4 1.0 C02 A:K4D1304 1.3 0.7 1.0 F01 A:K4D1304 2.2 0.1 1.0 F04 A:K4D1304 2.2 0.2 1.0 C05 A:K4D1304 2.3 0.4 1.0 O06 A:K4D1304 2.8 0.3 1.0 OG1 B:THR2206 3.0 0.8 1.0 CB B:THR2206 3.8 0.6 1.0 CG2 B:THR2206 4.0 0.5 1.0 C07 A:K4D1304 4.1 0.1 1.0 CG2 A:THR1175 4.6 71.2 1.0 CD1 B:LEU2176 4.7 73.3 1.0 CE A:MET1209 4.8 0.3 1.0 CE A:MET1174 4.8 55.5 1.0 C28 A:K4D1304 4.8 0.9 1.0

Fluorine binding site 3 out of 6 in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1304 b:0.2 occ:1.00 F04 A:K4D1304 0.0 0.2 1.0 C02 A:K4D1304 1.3 0.7 1.0 F03 A:K4D1304 2.2 0.4 1.0 F01 A:K4D1304 2.2 0.1 1.0 C05 A:K4D1304 2.4 0.4 1.0 O06 A:K4D1304 2.8 0.3 1.0 CG2 A:THR1175 3.2 71.2 1.0 CE A:MET1174 3.3 55.5 1.0 CG A:MET1174 3.8 76.7 1.0 CA A:THR1175 4.0 58.7 1.0 N A:THR1175 4.0 60.7 1.0 CB A:THR1175 4.1 58.4 1.0 C07 A:K4D1304 4.1 0.1 1.0 C A:MET1174 4.4 54.4 1.0 SD A:MET1174 4.4 74.7 1.0 O A:MET1174 4.5 51.8 1.0 CE1 A:PHE1171 4.6 88.7 1.0 CB A:MET1174 4.6 51.4 1.0 C28 A:K4D1304 4.8 0.9 1.0 CD1 B:LEU2176 4.9 73.3 1.0 CZ A:PHE1171 5.0 77.5 1.0

Fluorine binding site 4 out of 6 in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1304 b:0.5 occ:1.00 F24 A:K4D1304 0.0 0.5 1.0 C23 A:K4D1304 1.3 0.1 1.0 F26 A:K4D1304 2.2 0.3 1.0 F25 A:K4D1304 2.2 0.0 1.0 C22 A:K4D1304 2.3 0.7 1.0 O11 A:K4D1304 2.9 0.7 1.0 O21 A:K4D1304 3.0 0.2 1.0 C10 A:K4D1304 3.7 0.8 1.0 C20 A:K4D1304 4.2 0.8 1.0 C13 A:K4D1304 4.4 0.0 1.0 C09 A:K4D1304 4.5 0.7 1.0 N12 A:K4D1304 4.5 0.0 1.0 CD1 A:LEU1176 4.5 51.8 1.0 O D:THR2175 4.7 86.6 1.0 CA D:THR2175 4.8 53.6 1.0 O D:MET2174 4.9 1.0 1.0

Fluorine binding site 5 out of 6 in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1304 b:0.0 occ:1.00 F25 A:K4D1304 0.0 0.0 1.0 C23 A:K4D1304 1.3 0.1 1.0 F26 A:K4D1304 2.2 0.3 1.0 F24 A:K4D1304 2.2 0.5 1.0 C22 A:K4D1304 2.3 0.7 1.0 O21 A:K4D1304 2.4 0.2 1.0 O11 A:K4D1304 3.7 0.7 1.0 C20 A:K4D1304 3.9 0.8 1.0 C10 A:K4D1304 4.5 0.8 1.0 C09 A:K4D1304 4.7 0.7 1.0 C27 A:K4D1304 4.7 0.8 1.0

Fluorine binding site 6 out of 6 in the Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Navab Voltage-Gated Sodium Channel, I217C, in Complex with Class 1C Anti-Arrhythmic Flecainide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1304 b:0.3 occ:1.00 F26 A:K4D1304 0.0 0.3 1.0 C23 A:K4D1304 1.3 0.1 1.0 F25 A:K4D1304 2.2 0.0 1.0 F24 A:K4D1304 2.2 0.5 1.0 C22 A:K4D1304 2.3 0.7 1.0 O21 A:K4D1304 3.4 0.2 1.0 CD1 A:LEU1176 4.6 51.8 1.0 O11 A:K4D1304 4.7 0.7 1.0 C20 A:K4D1304 4.7 0.8 1.0 CG2 D:THR2175 5.0 55.4 1.0 CA D:THR2175 5.0 53.6 1.0

T.M.Gamal El-Din, M.J.Lenaeus, N.Zheng, W.A.Catterall. Fenestrations Control Resting-State Block of A Voltage-Gated Sodium Channel. Proc. Natl. Acad. Sci. V. 115 13111 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30518562
DOI: 10.1073/PNAS.1814928115