Chlorine in PDB 7mxo: Cryo-Em Structure of Human NKCC1

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

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of Human NKCC1 (pdb code 7mxo). 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, PDB code: 7mxo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryo-Em Structure of Human NKCC1


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1301 b:51.8 occ:1.00 K A:K1302 3.0 40.0 1.0 N A:VAL302 3.0 48.5 1.0 O A:PRO496 3.1 44.3 1.0 CA A:GLY301 3.3 46.3 1.0 N A:GLY301 3.5 46.3 1.0 C A:GLY301 3.6 46.3 1.0 CA A:ALA497 3.6 44.3 1.0 CE1 A:TYR383 3.7 50.2 1.0 N A:MET303 3.8 48.3 1.0 C A:PRO496 3.9 44.3 1.0 O A:ILE299 3.9 43.9 1.0 CG1 A:VAL302 3.9 48.5 1.0 N A:ALA497 4.0 44.3 1.0 OH A:TYR383 4.1 50.2 1.0 CA A:VAL302 4.1 48.5 1.0 CB A:ALA497 4.4 44.3 1.0 CZ A:TYR383 4.4 50.2 1.0 C A:ALA497 4.5 44.3 1.0 CG A:MET303 4.5 48.3 1.0 CB A:VAL302 4.5 48.5 1.0 C A:VAL302 4.5 48.5 1.0 O A:ALA497 4.6 44.3 1.0 CB A:MET303 4.6 48.3 1.0 CD1 A:TYR383 4.7 50.2 1.0 O A:GLY301 4.7 46.3 1.0 C A:TRP300 4.8 43.6 1.0 CA A:MET303 4.8 48.3 1.0 OH A:TYR533 4.9 39.8 1.0

Chlorine binding site 2 out of 2 in the Cryo-Em Structure of Human NKCC1


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1301 b:31.2 occ:1.00 O B:PRO496 2.7 33.5 1.0 K B:K1302 2.8 42.8 1.0 CA B:GLY301 3.4 34.5 1.0 N B:GLY301 3.5 34.5 1.0 O B:ILE299 3.5 32.4 1.0 C B:PRO496 3.5 33.5 1.0 CA B:ALA497 3.5 32.3 1.0 N B:VAL302 3.7 34.8 1.0 C B:GLY301 3.8 34.5 1.0 N B:ALA497 3.8 32.3 1.0 CE1 B:TYR383 3.9 36.3 1.0 OH B:TYR383 4.0 36.3 1.0 N B:MET303 4.1 33.6 1.0 C B:ALA497 4.2 32.3 1.0 O B:ALA497 4.4 32.3 1.0 CG B:MET303 4.4 33.6 1.0 CZ B:TYR383 4.4 36.3 1.0 CB B:MET303 4.5 33.6 1.0 C B:TRP300 4.6 32.0 1.0 CB B:ALA497 4.6 32.3 1.0 OH B:TYR533 4.6 28.1 1.0 CG1 B:VAL302 4.6 34.8 1.0 C B:ILE299 4.7 32.4 1.0 CA B:PRO496 4.7 33.5 1.0 CB B:PRO496 4.7 33.5 1.0 CA B:VAL302 4.8 34.8 1.0 O B:GLY301 4.8 34.5 1.0 C B:VAL302 4.9 34.8 1.0 CA B:MET303 4.9 33.6 1.0 CD1 B:TYR383 4.9 36.3 1.0

M.A.Moseng, C.C.Su, K.Rios, M.Cui, M.Lyu, P.Glaza, P.A.Klenotic, E.Delpire, E.W.Yu. Inhibition Mechanism of NKCC1 Involves the Carboxyl Terminus and Long-Range Conformational Coupling. Sci Adv V. 8 Q0952 2022.
ISSN: ESSN 2375-2548
PubMed: 36306358
DOI: 10.1126/SCIADV.ABQ0952