Caesium in PDB 4pdl: Structure of K+ Selective Nak Mutant in Caesium

The structure of Structure of K+ Selective Nak Mutant in Caesium, PDB code: 4pdl was solved by Y.Lam, W.Zeng, D.B.Sauer, Y.Jiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.05 / 1.70
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.106, 68.106, 89.593, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.6

The structure of Structure of K+ Selective Nak Mutant in Caesium also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Caesium atom in the Structure of K+ Selective Nak Mutant in Caesium (pdb code 4pdl). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Structure of K+ Selective Nak Mutant in Caesium, PDB code: 4pdl:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in the Structure of K+ Selective Nak Mutant in Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Structure of K+ Selective Nak Mutant in Caesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs201 b:25.0 occ:0.25 O A:TYR66 3.2 22.5 1.0 C6 A:HEX207 3.4 50.9 1.0 C A:GLY67 3.5 24.1 1.0 O A:GLY67 3.5 25.9 1.0 HA3 A:GLY67 3.6 28.4 1.0 HA A:ASP68 3.7 30.9 1.0 O A:HOH317 3.7 35.1 0.2 N A:ASP68 3.7 23.9 1.0 CA A:GLY67 4.0 23.6 1.0 H A:ASP68 4.0 28.7 1.0 C A:TYR66 4.1 24.2 1.0 CA A:ASP68 4.2 25.7 1.0 C5 A:HEX207 4.5 58.1 1.0 N A:GLY67 4.5 19.8 1.0 HB3 A:ASP68 4.5 29.4 1.0 HB3 A:TYR66 4.7 26.9 1.0 HA2 A:GLY67 4.8 28.4 1.0 C4 A:HEX207 4.9 37.4 1.0 CB A:ASP68 5.0 24.5 1.0

Caesium binding site 2 out of 5 in the Structure of K+ Selective Nak Mutant in Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Structure of K+ Selective Nak Mutant in Caesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs202 b:22.6 occ:0.21 O A:VAL64 2.9 23.0 1.0 O A:THR63 3.2 21.5 1.0 C A:VAL64 3.7 20.5 1.0 HA3 A:GLY65 3.9 26.0 1.0 NA A:NA204 3.9 23.1 0.2 HA A:VAL64 4.2 28.1 1.0 O A:GLY65 4.2 21.3 1.0 C A:THR63 4.4 23.4 1.0 N A:GLY65 4.4 20.7 1.0 CA A:GLY65 4.5 21.7 1.0 CA A:VAL64 4.5 23.4 1.0 C A:GLY65 4.6 23.3 1.0 N A:VAL64 4.9 23.9 1.0 CS A:CS203 5.0 20.4 0.2

Caesium binding site 3 out of 5 in the Structure of K+ Selective Nak Mutant in Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Structure of K+ Selective Nak Mutant in Caesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs203 b:20.4 occ:0.18 O A:GLY65 3.0 21.3 1.0 O A:TYR66 3.0 22.5 1.0 HA A:TYR66 3.6 26.8 1.0 C A:TYR66 3.6 24.2 1.0 CA A:TYR66 4.0 22.3 1.0 C A:GLY65 4.1 23.3 1.0 HA3 A:GLY67 4.1 28.4 1.0 N A:GLY67 4.4 19.8 1.0 N A:TYR66 4.5 23.3 1.0 CA A:GLY67 4.8 23.6 1.0 CS A:CS202 5.0 22.6 0.2

Caesium binding site 4 out of 5 in the Structure of K+ Selective Nak Mutant in Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Structure of K+ Selective Nak Mutant in Caesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs201 b:42.4 occ:0.22 O B:VAL64 3.0 40.0 1.0 O B:THR63 3.2 38.4 1.0 C B:VAL64 3.8 39.5 1.0 O B:HOH305 3.9 15.1 0.2 HA3 B:GLY65 4.0 52.7 1.0 HA B:VAL64 4.2 42.4 1.0 O B:GLY65 4.3 46.2 1.0 C B:THR63 4.4 34.9 1.0 N B:GLY65 4.5 43.9 1.0 CA B:VAL64 4.5 35.3 1.0 CA B:GLY65 4.5 44.0 1.0 C B:GLY65 4.7 46.0 1.0 N B:VAL64 4.9 33.4 1.0

Caesium binding site 5 out of 5 in the Structure of K+ Selective Nak Mutant in Caesium


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Structure of K+ Selective Nak Mutant in Caesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cs202 b:48.7 occ:0.18 O B:GLY65 3.0 46.2 1.0 O B:TYR66 3.1 50.0 1.0 C B:TYR66 3.8 53.3 1.0 HA B:TYR66 3.9 60.2 1.0 HA3 B:GLY67 4.1 73.2 1.0 C B:GLY65 4.2 46.0 1.0 CA B:TYR66 4.3 50.1 1.0 N B:GLY67 4.5 56.0 1.0 N B:TYR66 4.7 35.4 1.0 CA B:GLY67 4.8 61.0 1.0

Y.Lam, W.Zeng, D.B.Sauer, Y.Jiang. High Resolution Structural Views of Rubidium, Cesium and Barium Binding Within A Potassium Selective Channel Filter To Be Published.