Chlorine in PDB 7s1x: Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide

The structure of Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide (pdb code 7s1x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide, PDB code: 7s1x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1303 b:30.0 occ:1.00 OH B:TYR686 2.1 75.4 1.0 CZ B:TYR686 3.0 75.4 1.0 CE2 B:TYR686 3.1 75.4 1.0 O B:ILE501 3.2 78.0 1.0 N B:GLY500 3.4 80.5 1.0 CD1 B:PHE682 3.5 82.3 1.0 CZ B:PHE372 3.6 78.4 1.0 N B:ILE501 3.7 78.0 1.0 CE1 B:PHE682 3.7 82.3 1.0 CA B:GLY500 3.8 80.5 1.0 C B:GLY500 3.9 80.5 1.0 C B:ILE501 4.1 78.0 1.0 CE2 B:PHE372 4.1 78.4 1.0 CG1 B:ILE501 4.2 78.0 1.0 CE1 B:TYR686 4.3 75.4 1.0 CG B:LEU502 4.3 79.4 1.0 CD1 B:LEU502 4.4 79.4 1.0 CA B:ILE501 4.4 78.0 1.0 C B:THR499 4.5 84.5 1.0 CD2 B:TYR686 4.5 75.4 1.0 CB B:THR499 4.5 84.5 1.0 CA B:THR499 4.6 84.5 1.0 CG B:PHE682 4.7 82.3 1.0 CE1 B:PHE372 4.7 78.4 1.0 O B:GLY500 4.8 80.5 1.0 CB B:ILE501 4.9 78.0 1.0 CD2 B:LEU502 4.9 79.4 1.0

Chlorine binding site 2 out of 2 in the Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of Human NKCC1 K289NA492EL671C Bound with Bumetanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1303 b:30.0 occ:1.00 OH A:TYR686 2.1 76.0 1.0 CZ A:TYR686 3.0 76.0 1.0 CE2 A:TYR686 3.1 76.0 1.0 O A:ILE501 3.2 77.8 1.0 N A:GLY500 3.4 80.6 1.0 CD1 A:PHE682 3.5 82.7 1.0 CZ A:PHE372 3.6 78.4 1.0 N A:ILE501 3.7 77.8 1.0 CE1 A:PHE682 3.7 82.7 1.0 CA A:GLY500 3.8 80.6 1.0 C A:GLY500 3.9 80.6 1.0 C A:ILE501 4.1 77.8 1.0 CE2 A:PHE372 4.1 78.4 1.0 CG1 A:ILE501 4.2 77.8 1.0 CE1 A:TYR686 4.3 76.0 1.0 CG A:LEU502 4.3 79.2 1.0 CD1 A:LEU502 4.4 79.2 1.0 CA A:ILE501 4.4 77.8 1.0 C A:THR499 4.5 85.0 1.0 CD2 A:TYR686 4.5 76.0 1.0 CB A:THR499 4.5 85.0 1.0 CA A:THR499 4.6 85.0 1.0 CG A:PHE682 4.7 82.7 1.0 CE1 A:PHE372 4.7 78.4 1.0 O A:GLY500 4.8 80.6 1.0 CB A:ILE501 4.9 77.8 1.0 CD2 A:LEU502 4.9 79.2 1.0

Y.Zhao, K.Roy, P.Vidossich, L.Cancedda, M.De Vivo, B.Forbush, E.Cao. Structural Basis For Inhibition of the Cation-Chloride Cotransporter NKCC1 By the Diuretic Drug Bumetanide Nat Commun V. 13 2747 2022.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-022-30407-3