Chlorine in PDB 7oph: Nak S-Di Mutant with Na+ and K+

The structure of Nak S-Di Mutant with Na+ and K+, PDB code: 7oph 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)	38.01 / 1.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.13, 88.021, 49.313, 90, 90, 90
R / Rfree (%)	15.3 / 17.9

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

Potassium

(K)

8 atoms

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

Chlorine binding site 1 out of 2 in the Nak S-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 S-Di Mutant with Na+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:31.9 occ:1.00 HG A:SER108 2.1 56.1 1.0 O A:HOH338 2.9 43.4 1.0 OG A:SER108 3.0 46.7 1.0 HB2 A:SER108 3.7 51.9 1.0 CB A:SER108 3.7 43.3 1.0 HB3 A:SER108 3.7 51.9 1.0 O A:HOH336 4.3 63.7 1.0

Chlorine binding site 2 out of 2 in the Nak S-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 S-Di Mutant with Na+ and K+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl211 b:39.3 occ:1.00 H B:ILE51 2.4 27.5 1.0 O B:HOH322 2.8 37.0 1.0 HD2 B:PRO50 2.9 30.7 1.0 HG22 B:ILE51 3.0 30.6 1.0 HB2 B:PRO50 3.0 31.7 1.0 HH21 B:ARG49 3.2 38.7 1.0 N B:ILE51 3.2 22.9 1.0 HB B:ILE51 3.2 27.7 1.0 HB3 B:ARG49 3.3 31.1 1.0 CD B:PRO50 3.6 25.6 1.0 CG2 B:ILE51 3.7 25.5 1.0 NH2 B:ARG49 3.7 32.3 1.0 HE B:ARG49 3.7 35.4 1.0 N B:PRO50 3.7 23.4 1.0 CB B:PRO50 3.7 26.4 1.0 CB B:ILE51 3.8 23.1 1.0 HG21 B:ILE51 3.9 30.6 1.0 HG2 B:PRO50 4.0 30.9 1.0 CA B:PRO50 4.0 23.4 1.0 CG B:PRO50 4.0 25.7 1.0 C B:PRO50 4.0 22.2 1.0 CA B:ILE51 4.1 22.1 1.0 HH22 B:ARG49 4.1 38.7 1.0 NE B:ARG49 4.1 29.5 1.0 CZ B:ARG49 4.2 31.6 1.0 CB B:ARG49 4.2 25.9 1.0 C B:ARG49 4.4 21.8 1.0 HD3 B:PRO50 4.4 30.7 1.0 HG23 B:ILE51 4.5 30.6 1.0 HA B:ILE51 4.5 26.5 1.0 HB3 B:PRO50 4.6 31.7 1.0 HB2 B:ARG49 4.6 31.1 1.0 CA B:ARG49 4.8 24.2 1.0 HA B:ARG49 4.8 29.0 1.0 H B:ASP52 4.8 23.9 1.0 HG3 B:PRO50 5.0 30.9 1.0 HA B:PRO50 5.0 28.0 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.