Chlorine in PDB 6npl: Cryo-Em Structure of NKCC1

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

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the Cryo-Em Structure of NKCC1 (pdb code 6npl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Cryo-Em Structure of NKCC1, PDB code: 6npl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Cryo-Em Structure of 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 NKCC1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:22.4 occ:1.00 N A:VAL224 2.8 6.6 1.0 N A:MET225 3.3 6.5 1.0 C A:GLY223 3.4 6.0 1.0 CA A:GLY223 3.5 6.0 1.0 O A:PRO417 3.7 4.0 1.0 CG A:MET225 3.7 6.5 1.0 CA A:VAL224 3.7 6.6 1.0 CA A:ALA418 3.8 4.2 1.0 CE1 A:TYR305 3.8 5.0 1.0 N A:GLY223 3.9 6.0 1.0 CB A:VAL224 4.0 6.6 1.0 C A:VAL224 4.0 6.6 1.0 K A:K1201 4.0 17.1 1.0 C A:PRO417 4.0 4.0 1.0 N A:ALA418 4.1 4.2 1.0 CB A:ALA418 4.2 4.2 1.0 CB A:MET225 4.2 6.5 1.0 CA A:MET225 4.3 6.5 1.0 O A:ILE221 4.4 2.9 1.0 O A:GLY223 4.5 6.0 1.0 CD1 A:TYR305 4.6 5.0 1.0 OH A:TYR305 4.6 5.0 1.0 CG2 A:VAL224 4.6 6.6 1.0 CZ A:TYR305 4.7 5.0 1.0 CB A:PRO417 4.8 4.0 1.0 SD A:MET225 4.8 6.5 1.0 C A:ALA418 5.0 4.2 1.0

Chlorine binding site 2 out of 4 in the Cryo-Em Structure of 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 NKCC1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1203 b:43.9 occ:1.00 OH A:TYR611 2.9 5.7 1.0 N A:GLY421 3.3 4.7 1.0 CE1 A:PHE607 3.4 2.9 1.0 CA A:GLY421 3.5 4.7 1.0 N A:ILE422 3.6 5.2 1.0 CE1 A:PHE294 3.6 3.4 1.0 N A:LEU423 3.7 6.0 1.0 C A:GLY421 3.8 4.7 1.0 CD1 A:PHE607 3.8 2.9 1.0 CZ A:TYR611 3.9 5.7 1.0 CZ A:PHE294 4.0 3.4 1.0 CB A:LEU423 4.0 6.0 1.0 CE1 A:TYR611 4.1 5.7 1.0 CG A:LEU423 4.2 6.0 1.0 CA A:LEU423 4.4 6.0 1.0 C A:THR420 4.5 4.1 1.0 CZ A:PHE607 4.5 2.9 1.0 CA A:ILE422 4.6 5.2 1.0 C A:ILE422 4.6 5.2 1.0 CG1 A:ILE422 4.7 5.2 1.0 CD1 A:LEU423 4.7 6.0 1.0 O A:GLY421 4.7 4.7 1.0 CD1 A:PHE294 4.7 3.4 1.0 CB A:THR420 4.8 4.1 1.0 CA A:THR420 4.9 4.1 1.0

Chlorine binding site 3 out of 4 in the Cryo-Em Structure of NKCC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryo-Em Structure of NKCC1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1202 b:26.2 occ:1.00 N B:VAL224 2.8 5.9 1.0 N B:MET225 3.4 5.2 1.0 CA B:GLY223 3.5 5.4 1.0 C B:GLY223 3.5 5.4 1.0 CE1 B:TYR305 3.7 5.5 1.0 CA B:ALA418 3.7 4.4 1.0 O B:PRO417 3.8 4.1 1.0 CA B:VAL224 3.8 5.9 1.0 N B:GLY223 3.9 5.4 1.0 K B:K1201 3.9 6.3 1.0 CG B:MET225 4.0 5.2 1.0 CB B:VAL224 4.0 5.9 1.0 CB B:ALA418 4.0 4.4 1.0 N B:ALA418 4.1 4.4 1.0 C B:VAL224 4.1 5.9 1.0 C B:PRO417 4.1 4.1 1.0 CB B:MET225 4.3 5.2 1.0 OH B:TYR305 4.4 5.5 1.0 O B:ILE221 4.4 5.0 1.0 CA B:MET225 4.5 5.2 1.0 CZ B:TYR305 4.5 5.5 1.0 CD1 B:TYR305 4.5 5.5 1.0 CG2 B:VAL224 4.6 5.9 1.0 O B:GLY223 4.6 5.4 1.0 SD B:MET225 4.7 5.2 1.0 CE B:MET304 4.8 5.2 1.0 C B:ALA418 4.9 4.4 1.0

Chlorine binding site 4 out of 4 in the Cryo-Em Structure of NKCC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cryo-Em Structure of NKCC1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1203 b:41.4 occ:1.00 OH B:TYR611 3.1 4.7 1.0 CE1 B:PHE607 3.4 3.2 1.0 N B:GLY421 3.4 5.8 1.0 CA B:GLY421 3.5 5.8 1.0 CE1 B:PHE294 3.6 4.2 1.0 N B:LEU423 3.6 9.9 1.0 N B:ILE422 3.7 8.7 1.0 C B:GLY421 3.7 5.8 1.0 CB B:LEU423 3.9 9.9 1.0 CD1 B:PHE607 4.0 3.2 1.0 CZ B:PHE294 4.1 4.2 1.0 CZ B:TYR611 4.1 4.7 1.0 CG B:LEU423 4.2 9.9 1.0 CE1 B:TYR611 4.3 4.7 1.0 CA B:LEU423 4.3 9.9 1.0 CZ B:PHE607 4.5 3.2 1.0 O B:GLY421 4.6 5.8 1.0 CD1 B:LEU423 4.6 9.9 1.0 C B:ILE422 4.6 8.7 1.0 C B:THR420 4.6 4.2 1.0 CD1 B:PHE294 4.7 4.2 1.0 CA B:ILE422 4.7 8.7 1.0 C B:LEU423 4.8 9.9 1.0 CG1 B:ILE422 4.9 8.7 1.0 ND2 B:ASN298 4.9 3.5 1.0 CB B:THR420 5.0 4.2 1.0

T.A.Chew, B.J.Orlando, J.Zhang, N.R.Latorraca, A.Wang, S.A.Hollingsworth, D.H.Chen, R.O.Dror, M.Liao, L.Feng. Structure and Mechanism of the Cation-Chloride Cotransporter NKCC1. Nature V. 572 488 2019.
ISSN: ESSN 1476-4687
PubMed: 31367042
DOI: 10.1038/S41586-019-1438-2