Chlorine in PDB 7oor: Nak C-Di Mutant with Na+ and K+

The structure of Nak C-Di Mutant with Na+ and K+, PDB code: 7oor was solved by S.Minniberger, A.J.R.Plested, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.62 / 1.47
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.25, 88.49, 49.66, 90, 90, 90
R / Rfree (%)	14.7 / 18.3

The structure of Nak C-Di Mutant with Na+ and K+ also contains other interesting chemical elements:

Sodium	(Na)	5 atoms
Potassium	(K)	2 atoms

The binding sites of Chlorine atom in the Nak C-Di Mutant with Na+ and K+ (pdb code 7oor). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Nak C-Di Mutant with Na+ and K+, PDB code: 7oor:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Nak C-Di Mutant with Na+ and K+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nak C-Di Mutant with Na+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl218 b:39.2 occ:1.00 H A:ILE51 2.2 20.4 1.0 HD2 A:PRO50 2.8 26.1 1.0 HG22 A:ILE51 2.8 26.9 1.0 HB2 A:PRO50 2.9 27.7 1.0 N A:ILE51 3.0 17.0 1.0 HB A:ILE51 3.1 23.2 1.0 HB3 A:ARG49 3.1 26.9 1.0 H13 A:MPD212 3.3 65.7 0.7 CD A:PRO50 3.5 21.8 1.0 CG2 A:ILE51 3.5 22.4 1.0 HH21 A:ARG49 3.5 41.7 1.0 N A:PRO50 3.6 19.3 1.0 CB A:PRO50 3.6 23.1 1.0 CB A:ILE51 3.6 19.4 1.0 HG21 A:ILE51 3.7 26.9 1.0 NH2 A:ARG49 3.8 34.8 1.0 HG2 A:PRO50 3.8 26.9 1.0 CG A:PRO50 3.9 22.4 1.0 CA A:PRO50 3.9 20.2 1.0 C A:PRO50 3.9 18.2 1.0 CA A:ILE51 3.9 16.8 1.0 HE A:ARG49 4.0 41.0 1.0 H12 A:MPD212 4.0 65.7 0.7 C1 A:MPD212 4.0 54.8 0.7 CB A:ARG49 4.0 22.4 1.0 H11 A:MPD212 4.1 65.7 0.7 HH22 A:ARG49 4.1 41.7 1.0 CZ A:ARG49 4.2 34.3 1.0 C A:ARG49 4.2 18.4 1.0 NE A:ARG49 4.2 34.1 1.0 HB2 A:ARG49 4.3 26.9 1.0 HD3 A:PRO50 4.3 26.1 1.0 HG23 A:ILE51 4.3 26.9 1.0 HA A:ILE51 4.4 20.2 1.0 HB3 A:PRO50 4.5 27.7 1.0 H A:ASP52 4.6 20.5 1.0 CA A:ARG49 4.6 18.8 1.0 HA A:ARG49 4.7 22.5 1.0 HG3 A:PRO50 4.8 26.9 1.0 HA A:PRO50 4.9 24.2 1.0 O A:ARG49 4.9 20.2 1.0

Chlorine binding site 2 out of 2 in the Nak C-Di Mutant with Na+ and K+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Nak C-Di Mutant with Na+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl210 b:44.9 occ:1.00 H B:ILE51 2.2 23.9 0.4 H B:ILE51 2.2 24.3 0.6 HG22 B:ILE51 2.7 31.4 0.6 O B:HOH323 2.8 48.7 1.0 HG22 B:ILE51 2.9 28.0 0.4 HB2 B:PRO50 2.9 27.6 1.0 HD2 B:PRO50 2.9 26.8 1.0 N B:ILE51 3.0 19.9 0.4 N B:ILE51 3.0 20.3 0.6 HB B:ILE51 3.0 25.5 0.4 HB B:ILE51 3.1 28.4 0.6 HB3 B:ARG49 3.2 27.0 1.0 CG2 B:ILE51 3.5 26.2 0.6 HH21 B:ARG49 3.5 39.2 1.0 CG2 B:ILE51 3.5 23.3 0.4 CD B:PRO50 3.6 22.4 1.0 N B:PRO50 3.6 21.1 1.0 CB B:ILE51 3.6 21.2 0.4 CB B:PRO50 3.6 23.0 1.0 HG21 B:ILE51 3.6 28.0 0.4 CB B:ILE51 3.6 23.7 0.6 HG21 B:ILE51 3.7 31.4 0.6 C B:PRO50 3.8 20.1 1.0 CA B:PRO50 3.9 21.2 1.0 NH2 B:ARG49 3.9 32.7 1.0 CA B:ILE51 3.9 19.7 0.4 CA B:ILE51 3.9 20.7 0.6 HG2 B:PRO50 3.9 28.5 1.0 CG B:PRO50 4.0 23.7 1.0 HE B:ARG49 4.0 35.2 1.0 CB B:ARG49 4.1 22.5 1.0 C B:ARG49 4.2 22.0 1.0 HH22 B:ARG49 4.2 39.2 1.0 HG23 B:ILE51 4.3 31.4 0.6 NE B:ARG49 4.3 29.3 1.0 CZ B:ARG49 4.3 31.1 1.0 HA B:ILE51 4.3 23.6 0.4 HB2 B:ARG49 4.4 27.0 1.0 HG23 B:ILE51 4.4 28.0 0.4 HA B:ILE51 4.4 24.8 0.6 HD3 B:PRO50 4.4 26.8 1.0 HB3 B:PRO50 4.4 27.6 1.0 H B:ASP52 4.6 25.0 0.6 H B:ASP52 4.6 25.0 0.4 CA B:ARG49 4.6 21.7 1.0 HA B:ARG49 4.7 26.0 1.0 HA B:PRO50 4.8 25.4 1.0 O B:ARG49 4.9 21.6 1.0 HG3 B:PRO50 4.9 28.5 1.0

S.Minniberger, S.Abdolvand, S.Braunbeck, H.Sun, A.J.R.Plested. Asymmetry and Ion Selectivity Properties in the Bacterial Channel Nak Mimicking Ionotropic Glutamate Receptors To Be Published.