Chlorine in PDB 8gqu: Ak-42 Inhibitor Binding Human Clc-2 Tmd

The binding sites of Chlorine atom in the Ak-42 Inhibitor Binding Human Clc-2 Tmd (pdb code 8gqu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ak-42 Inhibitor Binding Human Clc-2 Tmd, PDB code: 8gqu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ak-42 Inhibitor Binding Human Clc-2 Tmd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ak-42 Inhibitor Binding Human Clc-2 Tmd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:20.0 occ:1.00 CL1 A:GH6901 0.0 20.0 1.0 C12 A:GH6901 1.8 20.0 1.0 C11 A:GH6901 2.7 20.0 1.0 C14 A:GH6901 2.7 20.0 1.0 H14 A:GH6901 2.9 20.0 1.0 N10 A:GH6901 3.0 20.0 1.0 H10 A:GH6901 3.0 20.0 1.0 OE1 A:GLN393 3.2 32.0 1.0 CD2 A:LEU196 3.8 41.6 1.0 C09 A:GH6901 4.0 20.0 1.0 O A:LEU202 4.0 35.2 1.0 C15 A:GH6901 4.0 20.0 1.0 C25 A:GH6901 4.0 20.0 1.0 O03 A:GH6901 4.3 20.0 1.0 CG A:MET460 4.4 31.8 1.0 CD A:GLN393 4.4 32.0 1.0 C16 A:GH6901 4.5 20.0 1.0 C02 A:GH6901 4.6 20.0 1.0 CB A:GLN393 4.6 32.0 1.0 CG A:LEU196 4.6 41.6 1.0 CD1 A:LEU196 4.6 41.6 1.0 C04 A:GH6901 4.7 20.0 1.0 CB A:LEU196 4.7 41.6 1.0 N08 A:GH6901 4.8 20.0 1.0 H51 A:GH6901 4.9 20.0 1.0

Chlorine binding site 2 out of 4 in the Ak-42 Inhibitor Binding Human Clc-2 Tmd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ak-42 Inhibitor Binding Human Clc-2 Tmd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:20.0 occ:1.00 CL2 A:GH6901 0.0 20.0 1.0 C25 A:GH6901 1.8 20.0 1.0 H19 A:GH6901 2.0 20.0 1.0 C11 A:GH6901 2.8 20.0 1.0 C16 A:GH6901 2.8 20.0 1.0 N08 A:GH6901 2.8 20.0 1.0 C18 A:GH6901 2.9 20.0 1.0 O17 A:GH6901 3.0 20.0 1.0 N10 A:GH6901 3.1 20.0 1.0 NZ A:LYS204 3.1 35.1 1.0 C09 A:GH6901 3.2 20.0 1.0 H18 A:GH6901 3.4 20.0 1.0 C07 A:GH6901 3.7 20.0 1.0 H10 A:GH6901 3.7 20.0 1.0 CE A:LYS204 3.9 35.1 1.0 H07 A:GH6901 3.9 20.0 1.0 H24 A:GH6901 4.0 20.0 1.0 CD A:LYS394 4.0 33.0 1.0 C12 A:GH6901 4.0 20.0 1.0 C15 A:GH6901 4.0 20.0 1.0 C19 A:GH6901 4.1 20.0 1.0 CG A:LYS394 4.1 33.0 1.0 CB A:LYS394 4.4 33.0 1.0 C04 A:GH6901 4.4 20.0 1.0 CZ A:PHE306 4.5 53.3 1.0 C24 A:GH6901 4.5 20.0 1.0 CE A:LYS394 4.6 33.0 1.0 C14 A:GH6901 4.6 20.0 1.0 CD2 A:LEU305 4.6 62.4 1.0 C06 A:GH6901 4.8 20.0 1.0 H51 A:GH6901 4.9 20.0 1.0 CE A:MET460 5.0 31.8 1.0

Chlorine binding site 3 out of 4 in the Ak-42 Inhibitor Binding Human Clc-2 Tmd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ak-42 Inhibitor Binding Human Clc-2 Tmd within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:20.0 occ:1.00 CL1 B:GH6901 0.0 20.0 1.0 C12 B:GH6901 1.8 20.0 1.0 C11 B:GH6901 2.7 20.0 1.0 C14 B:GH6901 2.7 20.0 1.0 NE2 B:GLN393 2.8 33.1 1.0 H14 B:GH6901 2.9 20.0 1.0 N10 B:GH6901 3.0 20.0 1.0 H10 B:GH6901 3.0 20.0 1.0 CD2 B:LEU196 3.9 41.3 1.0 C09 B:GH6901 4.0 20.0 1.0 C15 B:GH6901 4.0 20.0 1.0 C25 B:GH6901 4.0 20.0 1.0 CD B:GLN393 4.1 33.1 1.0 O B:LEU202 4.2 34.8 1.0 O03 B:GH6901 4.3 20.0 1.0 CG B:MET460 4.5 31.5 1.0 CB B:GLN393 4.5 33.1 1.0 C16 B:GH6901 4.5 20.0 1.0 C02 B:GH6901 4.6 20.0 1.0 CG B:LEU196 4.6 41.3 1.0 CD1 B:LEU196 4.6 41.3 1.0 C04 B:GH6901 4.7 20.0 1.0 CB B:LEU196 4.7 41.3 1.0 N08 B:GH6901 4.8 20.0 1.0 H51 B:GH6901 4.9 20.0 1.0 CG B:GLN393 4.9 33.1 1.0 OE1 B:GLN393 4.9 33.1 1.0

Chlorine binding site 4 out of 4 in the Ak-42 Inhibitor Binding Human Clc-2 Tmd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ak-42 Inhibitor Binding Human Clc-2 Tmd within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:20.0 occ:1.00 CL2 B:GH6901 0.0 20.0 1.0 C25 B:GH6901 1.8 20.0 1.0 H19 B:GH6901 2.0 20.0 1.0 C11 B:GH6901 2.8 20.0 1.0 C16 B:GH6901 2.8 20.0 1.0 N08 B:GH6901 2.8 20.0 1.0 C18 B:GH6901 2.9 20.0 1.0 O17 B:GH6901 3.0 20.0 1.0 N10 B:GH6901 3.0 20.0 1.0 C09 B:GH6901 3.2 20.0 1.0 H18 B:GH6901 3.4 20.0 1.0 NZ B:LYS204 3.6 36.5 1.0 C07 B:GH6901 3.7 20.0 1.0 H10 B:GH6901 3.7 20.0 1.0 H07 B:GH6901 3.9 20.0 1.0 H24 B:GH6901 4.0 20.0 1.0 C12 B:GH6901 4.0 20.0 1.0 C15 B:GH6901 4.0 20.0 1.0 C19 B:GH6901 4.1 20.0 1.0 CD B:LYS394 4.3 34.6 1.0 C04 B:GH6901 4.4 20.0 1.0 CE B:LYS204 4.4 36.5 1.0 CG B:LYS394 4.5 34.6 1.0 C24 B:GH6901 4.5 20.0 1.0 CB B:LYS394 4.5 34.6 1.0 C14 B:GH6901 4.6 20.0 1.0 CZ B:PHE306 4.6 57.3 1.0 C06 B:GH6901 4.8 20.0 1.0 H51 B:GH6901 4.9 20.0 1.0 CE B:LYS394 5.0 34.6 1.0

T.Ma, L.Wang, A.Chai, C.Liu, W.Cui, S.Yuan, S.Wing Ngor Au, L.Sun, X.Zhang, Z.Zhang, J.Lu, Y.Gao, P.Wang, Z.Li, Y.Liang, H.Vogel, Y.T.Wang, D.Wang, K.Yan, H.Zhang. Cryo-Em Structures of Clc-2 Chloride Channel Reveal the Blocking Mechanism of Its Specific Inhibitor Ak-42. Nat Commun V. 14 3424 2023.
ISSN: ESSN 2041-1723
PubMed: 37296152
DOI: 10.1038/S41467-023-39218-6