Chlorine in PDB 7oou: Nak C-Di Mutant with Li+ and K+

The structure of Nak C-Di Mutant with Li+ and K+, PDB code: 7oou 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)	44.21 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.481, 88.413, 49.586, 90, 90, 90
R / Rfree (%)	17.6 / 20.6

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

Potassium

(K)

4 atoms

The binding sites of Chlorine atom in the Nak C-Di Mutant with Li+ and K+ (pdb code 7oou). 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 Li+ and K+, PDB code: 7oou:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Nak C-Di Mutant with Li+ 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 Li+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl218 b:45.3 occ:1.00 H A:ILE51 2.4 22.1 1.0 HG22 A:ILE51 2.8 31.7 1.0 HD2 A:PRO50 2.8 30.5 1.0 HB2 A:PRO50 2.9 28.1 1.0 HB A:ILE51 3.1 28.0 1.0 N A:ILE51 3.2 18.4 1.0 HB3 A:ARG49 3.3 32.3 1.0 CG2 A:ILE51 3.5 26.4 1.0 CD A:PRO50 3.6 25.4 1.0 CB A:ILE51 3.7 23.3 1.0 CB A:PRO50 3.7 23.4 1.0 HG21 A:ILE51 3.7 31.7 1.0 N A:PRO50 3.7 20.0 1.0 HG2 A:PRO50 3.9 32.6 1.0 HH21 A:ARG49 3.9 48.4 1.0 CG A:PRO50 4.0 27.1 1.0 CA A:ILE51 4.0 18.8 1.0 C A:PRO50 4.1 19.4 1.0 CA A:PRO50 4.1 22.6 1.0 NH2 A:ARG49 4.1 40.3 1.0 CB A:ARG49 4.2 26.9 1.0 HE A:ARG49 4.2 46.0 1.0 HG23 A:ILE51 4.3 31.7 1.0 CZ A:ARG49 4.4 43.4 1.0 HH22 A:ARG49 4.4 48.4 1.0 HD3 A:PRO50 4.4 30.5 1.0 C A:ARG49 4.4 24.1 1.0 HB2 A:ARG49 4.4 32.3 1.0 NE A:ARG49 4.4 38.3 1.0 HA A:ILE51 4.5 22.5 1.0 HB3 A:PRO50 4.5 28.1 1.0 H A:ASP52 4.8 25.6 1.0 CA A:ARG49 4.8 23.9 1.0 HA A:ARG49 4.9 28.7 1.0 O A:ACT213 4.9 62.6 1.0 HG3 A:PRO50 4.9 32.6 1.0

Chlorine binding site 2 out of 2 in the Nak C-Di Mutant with Li+ 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 Li+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl210 b:49.7 occ:1.00 H B:ILE51 2.4 29.2 1.0 O B:HOH322 2.8 42.9 1.0 HD2 B:PRO50 2.9 38.0 1.0 HB2 B:PRO50 2.9 35.9 1.0 HB B:ILE51 3.1 31.5 1.0 N B:ILE51 3.2 24.3 1.0 HB3 B:ARG49 3.2 29.5 1.0 HG22 B:ILE51 3.2 33.5 1.0 HH21 B:ARG49 3.4 45.9 1.0 O B:HOH325 3.4 55.4 1.0 CD B:PRO50 3.6 31.6 1.0 CB B:PRO50 3.7 29.9 1.0 N B:PRO50 3.7 26.7 1.0 CB B:ILE51 3.7 26.2 1.0 HG21 B:ILE51 3.7 33.5 1.0 CG2 B:ILE51 3.7 27.9 1.0 HE B:ARG49 3.8 44.0 1.0 NH2 B:ARG49 3.8 38.3 1.0 HM2 B:MPD204 3.9 55.8 0.9 HG2 B:PRO50 3.9 36.5 1.0 CG B:PRO50 4.0 30.4 1.0 C B:PRO50 4.0 24.0 1.0 CA B:PRO50 4.0 27.6 1.0 CA B:ILE51 4.1 26.6 1.0 NE B:ARG49 4.2 36.6 1.0 CB B:ARG49 4.2 24.6 1.0 HH22 B:ARG49 4.2 45.9 1.0 CZ B:ARG49 4.2 34.8 1.0 C B:ARG49 4.3 28.0 1.0 HM3 B:MPD204 4.3 55.8 0.9 HD3 B:PRO50 4.4 38.0 1.0 HB3 B:PRO50 4.5 35.9 1.0 HB2 B:ARG49 4.5 29.5 1.0 HA B:ILE51 4.5 31.9 1.0 CM B:MPD204 4.6 46.5 0.9 HG23 B:ILE51 4.7 33.5 1.0 O B:HOH328 4.7 52.8 1.0 CA B:ARG49 4.7 26.0 1.0 HA B:ARG49 4.8 31.2 1.0 H B:ASP52 4.8 32.9 1.0 HO4 B:MPD204 5.0 81.2 0.9 HG3 B:PRO50 5.0 36.5 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.