Chlorine in PDB 9c0h: Phosphorylated Human NKCC1 in Complex with Bumetanide

The structure of Phosphorylated Human NKCC1 in Complex with Bumetanide also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Phosphorylated Human NKCC1 in Complex with Bumetanide (pdb code 9c0h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Phosphorylated Human NKCC1 in Complex with Bumetanide, PDB code: 9c0h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Phosphorylated Human NKCC1 in Complex with Bumetanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphorylated Human NKCC1 in Complex with Bumetanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1302 b:15.9 occ:1.00 OH A:TYR686 3.0 33.2 1.0 N A:LEU502 3.3 30.1 1.0 N A:GLY500 3.4 33.9 1.0 CA A:GLY500 3.4 27.2 1.0 N A:ILE501 3.5 32.3 1.0 CB A:LEU502 3.5 26.9 1.0 CZ A:PHE372 3.5 34.6 1.0 C A:GLY500 3.6 30.6 1.0 CE2 A:PHE682 3.8 31.1 1.0 CG A:LEU502 3.8 28.0 1.0 CA A:LEU502 3.9 27.9 1.0 CZ A:TYR686 3.9 35.0 1.0 CE1 A:TYR686 3.9 31.8 1.0 CD2 A:PHE682 4.0 32.9 1.0 CE1 A:PHE372 4.2 35.2 1.0 CD1 A:LEU502 4.3 31.2 1.0 C A:ILE501 4.3 27.0 1.0 CG1 A:ILE501 4.4 33.3 1.0 CA A:ILE501 4.4 28.1 1.0 C A:LEU502 4.5 30.1 1.0 O A:GLY500 4.5 32.0 1.0 C A:THR499 4.6 31.9 1.0 CE2 A:PHE372 4.6 36.1 1.0 N A:ALA503 4.6 35.7 1.0 OD1 A:ASN298 4.9 38.1 1.0 CB A:THR499 5.0 33.4 1.0

Chlorine binding site 2 out of 2 in the Phosphorylated Human NKCC1 in Complex with Bumetanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphorylated Human NKCC1 in Complex with Bumetanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1302 b:17.6 occ:1.00 OH B:TYR686 2.9 32.7 1.0 N B:LEU502 3.3 29.0 1.0 N B:GLY500 3.4 34.6 1.0 CA B:GLY500 3.5 24.3 1.0 CB B:LEU502 3.5 25.3 1.0 N B:ILE501 3.5 32.6 1.0 CZ B:PHE372 3.6 39.9 1.0 C B:GLY500 3.6 31.5 1.0 CE2 B:PHE682 3.6 33.5 1.0 CG B:LEU502 3.8 27.2 1.0 CZ B:TYR686 3.9 36.7 1.0 CA B:LEU502 3.9 26.0 1.0 CE1 B:TYR686 3.9 32.1 1.0 CD2 B:PHE682 4.0 33.9 1.0 CE1 B:PHE372 4.2 39.2 1.0 CD1 B:LEU502 4.3 32.1 1.0 C B:ILE501 4.3 27.0 1.0 CG1 B:ILE501 4.4 33.7 1.0 CA B:ILE501 4.4 27.8 1.0 C B:LEU502 4.5 28.1 1.0 O B:GLY500 4.5 34.1 1.0 N B:ALA503 4.6 35.3 1.0 CE2 B:PHE372 4.7 37.5 1.0 C B:THR499 4.7 32.8 1.0 OD1 B:ASN298 4.8 41.8 1.0 CZ B:PHE682 4.9 29.6 1.0

Y.Zhao, P.Vidossich, B.Forbush, J.Ma, J.Rinehart, M.De Vivo, E.Cao. Structural Basis For Human NKCC1 Inhibition By Loop Diuretic Drugs Embo J. 2025.
ISSN: ESSN 1460-2075
DOI: 10.1038/S44318-025-00368-6