Caesium in PDB 8a7x: Nak C-Di F92A Mutant Soaked in Cs+

The structure of Nak C-Di F92A Mutant Soaked in Cs+, PDB code: 8a7x 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)	45.12 / 2.10
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.16, 68.16, 90.25, 90, 90, 90
R / Rfree (%)	19.7 / 24

The structure of Nak C-Di F92A Mutant Soaked in Cs+ also contains other interesting chemical elements:

Potassium

(K)

5 atoms

The binding sites of Caesium atom in the Nak C-Di F92A Mutant Soaked in Cs+ (pdb code 8a7x). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Nak C-Di F92A Mutant Soaked in Cs+, PDB code: 8a7x:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs201 b:31.7 occ:0.20 CS A:CS201 0.0 31.7 0.2 CS A:CS201 1.6 30.8 0.1 O A:THR63 2.8 30.1 1.0 O A:VAL64 3.2 39.1 1.0 C A:VAL64 3.7 38.3 1.0 K A:K210 3.9 38.4 0.3 HA3 A:GLY65 3.9 39.3 1.0 C A:THR63 4.0 49.4 1.0 HA A:VAL64 4.0 40.7 1.0 CA A:VAL64 4.3 33.9 1.0 N A:GLY65 4.4 40.1 1.0 HB A:THR63 4.6 39.5 1.0 N A:VAL64 4.7 46.8 1.0 CA A:GLY65 4.7 32.6 1.0

Caesium binding site 2 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs201 b:30.8 occ:0.05 CS A:CS201 0.0 30.8 0.1 CS A:CS201 1.6 31.7 0.2 O A:VAL64 3.1 39.1 1.0 HA3 A:GLY65 3.6 39.3 1.0 C A:VAL64 4.0 38.3 1.0 O A:HOH308 4.0 55.5 1.0 O A:THR63 4.2 30.1 1.0 CA A:GLY65 4.4 32.6 1.0 N A:GLY65 4.6 40.1 1.0 HA A:VAL64 4.8 40.7 1.0

Caesium binding site 3 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs201 b:53.3 occ:0.22 O B:VAL64 3.0 48.8 1.0 O B:THR63 3.1 49.7 1.0 C B:VAL64 3.7 50.1 1.0 HA3 B:GLY65 3.9 76.6 1.0 HA B:VAL64 4.0 49.3 1.0 CS B:CS202 4.0 48.7 0.1 C B:THR63 4.2 48.6 1.0 CA B:VAL64 4.3 41.0 1.0 N B:GLY65 4.4 66.7 1.0 CA B:GLY65 4.6 63.7 1.0 N B:VAL64 4.8 40.4 1.0 HB B:THR63 5.0 56.8 1.0

Caesium binding site 4 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs202 b:48.7 occ:0.10 HB B:THR63 2.9 56.8 1.0 OG1 B:THR63 2.9 45.5 1.0 O B:THR63 2.9 49.7 1.0 K B:K215 3.3 64.1 0.2 CB B:THR63 3.4 47.2 1.0 C B:THR63 3.8 48.6 1.0 CS B:CS201 4.0 53.3 0.2 CA B:THR63 4.2 44.0 1.0 HG23 B:THR63 4.5 61.3 1.0 CG2 B:THR63 4.6 51.0 1.0 HA B:VAL64 4.6 49.3 1.0 HA B:THR63 4.7 52.9 1.0 H12 B:MPD204 4.8 98.2 1.0 N B:VAL64 4.9 40.4 1.0

Caesium binding site 5 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs203 b:112.3 occ:0.08 HA B:CYS66 4.2 111.9 1.0 H B:CYS66 4.2 115.2 1.0 O B:CYS66 4.3 100.3 1.0 N B:CYS66 4.4 95.9 1.0 HA3 B:GLY65 4.4 76.6 1.0 C B:CYS66 4.5 101.3 1.0 CA B:CYS66 4.6 93.2 1.0 C B:GLY65 4.9 73.4 1.0

S.Minniberger, S.Abdolvand, S.Braunbeck, H.Sun, A.J.R.Plested. Asymmetry and Ion Selectivity Properties of Bacterial Channel Nak Mutants Derived From Ionotropic Glutamate Receptors. J.Mol.Biol. 67970 2023.
ISSN: ESSN 1089-8638
PubMed: 36682679
DOI: 10.1016/J.JMB.2023.167970