Magnesium in PDB 9c0e: Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide

The structure of Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Sodium	(Na)	2 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Magnesium atom in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide (pdb code 9c0e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide, PDB code: 9c0e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1306 b:39.1 occ:1.00 O2B A:ATP1301 1.8 45.5 1.0 O3G A:ATP1301 2.2 42.1 1.0 O1A A:ATP1301 2.5 39.5 1.0 PB A:ATP1301 3.1 42.6 1.0 PG A:ATP1301 3.5 53.7 1.0 O3B A:ATP1301 3.6 46.9 1.0 PA A:ATP1301 3.8 44.6 1.0 OD2 A:ASP927 3.8 59.1 1.0 O3A A:ATP1301 3.8 39.3 1.0 NH2 A:ARG801 4.1 42.0 1.0 CB A:ASP927 4.4 56.5 1.0 O1B A:ATP1301 4.4 41.6 1.0 O2G A:ATP1301 4.4 44.7 1.0 CG A:ASP927 4.5 62.1 1.0 O1G A:ATP1301 4.6 44.3 1.0 O5' A:ATP1301 4.8 41.7 1.0 O2A A:ATP1301 4.8 47.5 1.0

Magnesium binding site 2 out of 2 in the Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phosphorylated Human NKCC1_K289NA492E in Complex with Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1306 b:34.7 occ:1.00 O3A B:ATP1301 2.1 46.3 1.0 O2G B:ATP1301 2.2 40.5 1.0 O1B B:ATP1301 3.1 43.9 1.0 PB B:ATP1301 3.2 35.7 1.0 O1A B:ATP1301 3.2 54.6 1.0 PA B:ATP1301 3.2 46.8 1.0 PG B:ATP1301 3.6 53.1 1.0 O3B B:ATP1301 3.8 51.0 1.0 OD2 B:ASP927 4.1 60.7 1.0 O5' B:ATP1301 4.2 38.3 1.0 O2A B:ATP1301 4.3 45.4 1.0 NH1 B:ARG801 4.3 45.8 1.0 O2B B:ATP1301 4.5 39.9 1.0 O1G B:ATP1301 4.5 47.9 1.0 CB B:ASP927 4.6 55.8 1.0 O3G B:ATP1301 4.6 42.7 1.0 CG B:ASP927 4.7 62.5 1.0 H2 B:ATP1301 5.0 43.6 1.0 H3' B:ATP1301 5.0 42.7 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