Chlorine in PDB 7s1y: Cryo-Em Structure of Human NKCC1 K289NA492E Bound with Bumetanide

The structure of Cryo-Em Structure of Human NKCC1 K289NA492E 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 K289NA492E Bound with Bumetanide (pdb code 7s1y). 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 K289NA492E Bound with Bumetanide, PDB code: 7s1y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryo-Em Structure of Human NKCC1 K289NA492E 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 K289NA492E Bound with Bumetanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1302 b:30.0 occ:1.00 CE1 A:PHE372 2.4 122.2 1.0 CE1 A:TYR686 2.9 121.3 1.0 CZ A:PHE372 3.1 122.2 1.0 CD1 A:PHE682 3.2 106.2 1.0 CE1 A:PHE682 3.3 106.2 1.0 OH A:TYR686 3.4 121.3 1.0 CD1 A:PHE372 3.4 122.2 1.0 CZ A:TYR686 3.6 121.3 1.0 CD1 A:TYR686 3.9 121.3 1.0 CD1 A:LEU502 4.2 131.2 1.0 CE2 A:PHE372 4.3 122.2 1.0 CG A:PHE682 4.4 106.2 1.0 CB A:SER685 4.6 111.8 1.0 O A:ILE501 4.6 128.3 1.0 CG A:PHE372 4.6 122.2 1.0 OG1 A:THR499 4.6 124.8 1.0 CZ A:PHE682 4.7 106.2 1.0 CG A:LEU502 4.7 131.2 1.0 CE2 A:TYR686 4.9 121.3 1.0 CD2 A:PHE372 5.0 122.2 1.0 CB A:PHE682 5.0 106.2 1.0

Chlorine binding site 2 out of 2 in the Cryo-Em Structure of Human NKCC1 K289NA492E 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 K289NA492E Bound with Bumetanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1302 b:30.0 occ:1.00 CE1 B:PHE372 2.5 121.6 1.0 CE1 B:TYR686 2.9 120.6 1.0 CD1 B:PHE682 3.1 106.5 1.0 CZ B:PHE372 3.1 121.6 1.0 CE1 B:PHE682 3.3 106.5 1.0 OH B:TYR686 3.3 120.6 1.0 CD1 B:PHE372 3.5 121.6 1.0 CZ B:TYR686 3.5 120.6 1.0 CD1 B:TYR686 3.9 120.6 1.0 CD1 B:LEU502 4.2 131.6 1.0 CG B:PHE682 4.3 106.5 1.0 CE2 B:PHE372 4.4 121.6 1.0 O B:ILE501 4.6 130.5 1.0 CZ B:PHE682 4.6 106.5 1.0 CB B:SER685 4.7 112.4 1.0 CG B:PHE372 4.7 121.6 1.0 OG1 B:THR499 4.7 127.3 1.0 CG B:LEU502 4.7 131.6 1.0 CE2 B:TYR686 4.8 120.6 1.0 CB B:PHE682 4.9 106.5 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