Potassium in PDB 8f1c: Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4)

The structure of Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4) also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Zinc	(Zn)	4 atoms

The binding sites of Potassium atom in the Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4) (pdb code 8f1c). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4), PDB code: 8f1c:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4) within 5.0Å range: probe atom residue distance (Å) B Occ A:K604 b:0.0 occ:1.00 O B:TYR403 2.9 9.4 1.0 O C:TYR403 2.9 9.4 1.0 O D:TYR403 2.9 9.4 1.0 O A:TYR403 2.9 9.4 1.0 O A:GLY402 3.0 24.0 1.0 O B:GLY402 3.0 24.0 1.0 O D:GLY402 3.0 24.0 1.0 O C:GLY402 3.0 24.0 1.0 C B:TYR403 3.6 0.0 1.0 C D:TYR403 3.6 0.0 1.0 C C:TYR403 3.6 0.0 1.0 C A:TYR403 3.6 0.0 1.0 K A:K605 3.7 0.0 1.0 HA B:TYR403 3.9 6.6 1.0 HA D:TYR403 3.9 6.6 1.0 HA C:TYR403 3.9 6.6 1.0 HA A:TYR403 3.9 6.6 1.0 HA3 B:GLY404 3.9 6.3 1.0 HA3 D:GLY404 3.9 6.3 1.0 HA3 C:GLY404 3.9 6.3 1.0 HA3 A:GLY404 3.9 6.3 1.0 C B:GLY402 4.1 0.0 1.0 C A:GLY402 4.1 0.0 1.0 C D:GLY402 4.1 0.0 1.0 C C:GLY402 4.1 0.0 1.0 CA B:TYR403 4.2 0.0 1.0 CA D:TYR403 4.2 0.0 1.0 CA C:TYR403 4.2 0.0 1.0 CA A:TYR403 4.2 0.0 1.0 N B:GLY404 4.3 0.0 1.0 N C:GLY404 4.3 0.0 1.0 N D:GLY404 4.3 0.0 1.0 N A:GLY404 4.3 0.0 1.0 CA B:GLY404 4.6 0.0 1.0 CA C:GLY404 4.6 0.0 1.0 CA D:GLY404 4.6 0.0 1.0 CA A:GLY404 4.6 0.0 1.0 N B:TYR403 4.7 0.0 1.0 N D:TYR403 4.7 0.0 1.0 N C:TYR403 4.7 0.0 1.0 N A:TYR403 4.7 0.0 1.0 H B:GLY404 4.9 5.7 1.0 HA2 B:GLY404 4.9 5.1 1.0 H C:GLY404 4.9 5.7 1.0 H D:GLY404 4.9 5.7 1.0 HA2 D:GLY404 4.9 5.1 1.0 HA2 C:GLY404 4.9 5.1 1.0 H A:GLY404 4.9 5.7 1.0 HA2 A:GLY404 4.9 5.1 1.0

Potassium binding site 2 out of 4 in the Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4) within 5.0Å range: probe atom residue distance (Å) B Occ A:K605 b:0.0 occ:1.00 O B:GLY402 2.6 24.0 1.0 O D:GLY402 2.6 24.0 1.0 O C:GLY402 2.6 24.0 1.0 O A:GLY402 2.6 24.0 1.0 O A:LEU401 2.6 17.5 1.0 O D:LEU401 2.6 17.5 1.0 O B:LEU401 2.6 17.5 1.0 O C:LEU401 2.6 17.5 1.0 K A:K606 3.1 0.0 1.0 HA3 B:GLY402 3.2 5.1 1.0 HA3 D:GLY402 3.2 5.1 1.0 HA3 A:GLY402 3.2 5.1 1.0 HA3 C:GLY402 3.2 5.1 1.0 C B:GLY402 3.4 0.0 1.0 C D:GLY402 3.4 0.0 1.0 C C:GLY402 3.4 0.0 1.0 C A:GLY402 3.4 0.0 1.0 C D:LEU401 3.7 0.0 1.0 C A:LEU401 3.7 0.0 1.0 K A:K604 3.7 0.0 1.0 CA B:GLY402 3.7 0.0 1.0 C B:LEU401 3.7 0.0 1.0 CA D:GLY402 3.7 0.0 1.0 C C:LEU401 3.7 0.0 1.0 CA A:GLY402 3.7 0.0 1.0 CA C:GLY402 3.7 0.0 1.0 N D:GLY402 4.2 0.0 1.0 N B:GLY402 4.2 0.0 1.0 N A:GLY402 4.2 0.0 1.0 N C:GLY402 4.2 0.0 1.0 N D:TYR403 4.6 0.0 1.0 N B:TYR403 4.6 0.0 1.0 N C:TYR403 4.6 0.0 1.0 N A:TYR403 4.6 0.0 1.0 HA2 B:GLY402 4.6 3.0 1.0 HA2 D:GLY402 4.6 3.0 1.0 HA2 A:GLY402 4.6 3.0 1.0 HA2 C:GLY402 4.6 3.0 1.0 HA D:TYR403 4.7 6.6 1.0 HA C:TYR403 4.7 6.6 1.0 HA B:TYR403 4.7 6.6 1.0 HA A:TYR403 4.7 6.6 1.0 HA A:LEU401 4.9 6.9 1.0 HA D:LEU401 4.9 6.9 1.0 HA B:LEU401 4.9 6.9 1.0 HA C:LEU401 4.9 6.9 1.0

Potassium binding site 3 out of 4 in the Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4) within 5.0Å range: probe atom residue distance (Å) B Occ A:K606 b:0.0 occ:1.00 O B:THR400 2.6 24.2 1.0 O A:THR400 2.6 24.2 1.0 O D:THR400 2.6 24.2 1.0 O C:THR400 2.6 24.2 1.0 O B:LEU401 2.6 17.5 1.0 O D:LEU401 2.6 17.5 1.0 O C:LEU401 2.6 17.5 1.0 O A:LEU401 2.6 17.5 1.0 K A:K605 3.1 0.0 1.0 HA B:LEU401 3.4 6.9 1.0 HA D:LEU401 3.4 6.9 1.0 HA A:LEU401 3.4 6.9 1.0 HA C:LEU401 3.4 6.9 1.0 C B:LEU401 3.4 0.0 1.0 C D:LEU401 3.4 0.0 1.0 C C:LEU401 3.4 0.0 1.0 C A:LEU401 3.4 0.0 1.0 K A:K607 3.6 0.0 1.0 C B:THR400 3.7 0.0 1.0 C A:THR400 3.7 0.0 1.0 C D:THR400 3.7 0.0 1.0 C C:THR400 3.7 0.0 1.0 CA B:LEU401 3.9 0.0 1.0 CA D:LEU401 3.9 0.0 1.0 CA C:LEU401 3.9 0.0 1.0 CA A:LEU401 3.9 0.0 1.0 N B:LEU401 4.2 0.0 1.0 N D:LEU401 4.2 0.0 1.0 N A:LEU401 4.2 0.0 1.0 N C:LEU401 4.2 0.0 1.0 HA3 B:GLY402 4.3 5.1 1.0 HA3 D:GLY402 4.3 5.1 1.0 HA3 C:GLY402 4.3 5.1 1.0 HA3 A:GLY402 4.3 5.1 1.0 N B:GLY402 4.5 0.0 1.0 N D:GLY402 4.5 0.0 1.0 N C:GLY402 4.5 0.0 1.0 N A:GLY402 4.5 0.0 1.0 HB B:THR400 4.5 10.9 1.0 HB A:THR400 4.5 10.9 1.0 HB D:THR400 4.5 10.9 1.0 HB C:THR400 4.5 10.9 1.0 HD12 D:LEU401 4.5 8.4 1.0 HD12 B:LEU401 4.5 8.4 1.0 HD12 C:LEU401 4.5 8.4 1.0 HD12 A:LEU401 4.5 8.4 1.0 HG1 A:THR400 4.8 9.9 1.0 HG1 B:THR400 4.8 9.9 1.0 HG1 D:THR400 4.8 9.9 1.0 HG1 C:THR400 4.8 9.9 1.0 CA B:GLY402 4.9 0.0 1.0 CA C:GLY402 4.9 0.0 1.0 CA D:GLY402 4.9 0.0 1.0 CA A:GLY402 4.9 0.0 1.0 CA B:THR400 4.9 0.0 1.0 CA A:THR400 4.9 0.0 1.0 CA D:THR400 4.9 0.0 1.0 CA C:THR400 4.9 0.0 1.0

Potassium binding site 4 out of 4 in the Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Voltage-Gated Potassium Channel KV3.1 with Novel Positive Modulator (9M)-9-{5-Chloro-6-[(3,3-Dimethyl-2,3-Dihydro-1-Benzofuran-4-Yl)Oxy]- 4-Methylpyridin-3-Yl}-2-Methyl-7,9-Dihydro-8H-Purin-8-One (Compound 4) within 5.0Å range: probe atom residue distance (Å) B Occ A:K607 b:0.0 occ:1.00 HG1 D:THR400 2.2 9.9 1.0 HG1 B:THR400 2.2 9.9 1.0 HG1 A:THR400 2.2 9.9 1.0 HG1 C:THR400 2.2 9.9 1.0 HB B:THR400 2.9 10.9 1.0 HB D:THR400 2.9 10.9 1.0 HB C:THR400 2.9 10.9 1.0 HB A:THR400 2.9 10.9 1.0 O B:THR400 2.9 24.2 1.0 O D:THR400 2.9 24.2 1.0 O C:THR400 2.9 24.2 1.0 O A:THR400 2.9 24.2 1.0 OG1 B:THR400 2.9 18.7 1.0 OG1 D:THR400 2.9 18.7 1.0 OG1 C:THR400 2.9 18.7 1.0 OG1 A:THR400 2.9 18.7 1.0 CB B:THR400 3.4 7.4 1.0 CB D:THR400 3.4 7.4 1.0 CB C:THR400 3.4 7.4 1.0 CB A:THR400 3.4 7.4 1.0 K A:K606 3.6 0.0 1.0 C B:THR400 3.8 0.0 1.0 C D:THR400 3.8 0.0 1.0 C C:THR400 3.8 0.0 1.0 C A:THR400 3.8 0.0 1.0 CA B:THR400 4.2 0.0 1.0 CA D:THR400 4.2 0.0 1.0 CA C:THR400 4.2 0.0 1.0 CA A:THR400 4.2 0.0 1.0 HG21 B:THR400 4.5 8.1 1.0 HG21 A:THR400 4.5 8.1 1.0 HG21 D:THR400 4.5 8.1 1.0 HG21 C:THR400 4.5 8.1 1.0 CG2 B:THR400 4.6 0.3 1.0 CG2 D:THR400 4.6 0.3 1.0 CG2 A:THR400 4.6 0.3 1.0 CG2 C:THR400 4.6 0.3 1.0 HA D:LEU401 4.6 6.9 1.0 HA B:LEU401 4.6 6.9 1.0 HA C:LEU401 4.6 6.9 1.0 HA A:LEU401 4.6 6.9 1.0 O D:THR399 4.6 20.0 1.0 O B:THR399 4.6 20.0 1.0 O C:THR399 4.6 20.0 1.0 O A:THR399 4.6 20.0 1.0 HA B:THR400 4.8 6.1 1.0 HA D:THR400 4.8 6.1 1.0 HA C:THR400 4.8 6.1 1.0 HA A:THR400 4.8 6.1 1.0 N B:LEU401 4.9 0.0 1.0 N D:LEU401 4.9 0.0 1.0 N C:LEU401 4.9 0.0 1.0 N A:LEU401 4.9 0.0 1.0

Y.T.Chen, M.R.Hong, X.J.Zhang, J.Kostas, Y.Li, R.L.Kraus, V.P.Santarelli, D.Wang, Y.Gomez-Llorente, A.Brooun, C.Strickland, S.M.Soisson, D.J.Klein, A.T.Ginnetti, M.J.Marino, S.J.Stachel, A.Ishchenko. Identification and Structural and Biophysical Characterization of A Positive Modulator of Human KV3.1 Channels. Proc.Natl.Acad.Sci.Usa V. 120 29120 2023.
ISSN: ESSN 1091-6490
PubMed: 37812700
DOI: 10.1073/PNAS.2220029120