Barium in PDB 4pdv: Structure of K+ Selective Nak Mutant in Barium and Potassium

The structure of Structure of K+ Selective Nak Mutant in Barium and Potassium, PDB code: 4pdv 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)	32.80 / 1.82
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.065, 68.065, 89.614, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.2

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

Potassium

(K)

6 atoms

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

Barium binding site 1 out of 3 in the Structure of K+ Selective Nak Mutant in Barium and Potassium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Structure of K+ Selective Nak Mutant in Barium and Potassium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba204 b:47.0 occ:0.09 O A:HOH314 2.6 39.5 1.0 O A:HOH311 3.0 34.4 1.0

Barium binding site 2 out of 3 in the Structure of K+ Selective Nak Mutant in Barium and Potassium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Structure of K+ Selective Nak Mutant in Barium and Potassium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba205 b:20.9 occ:0.23 K A:K201 2.7 23.6 0.1 O A:THR63 2.7 21.1 1.0 O A:VAL64 2.8 19.8 1.0 C A:VAL64 3.6 21.4 1.0 HA A:VAL64 3.8 24.6 1.0 C A:THR63 3.9 23.0 1.0 K A:K202 4.0 30.7 0.2 HA3 A:GLY65 4.2 24.6 1.0 CA A:VAL64 4.2 20.5 1.0 N A:GLY65 4.5 20.8 1.0 N A:VAL64 4.6 21.2 1.0 HB A:THR63 4.7 25.6 1.0 CA A:GLY65 4.7 20.5 1.0 O A:GLY65 4.8 19.0 1.0

Barium binding site 3 out of 3 in the Structure of K+ Selective Nak Mutant in Barium and Potassium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Structure of K+ Selective Nak Mutant in Barium and Potassium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba204 b:36.4 occ:0.23 O B:THR63 2.8 35.1 1.0 K B:K203 2.8 37.9 0.1 O B:VAL64 2.8 35.6 1.0 C B:VAL64 3.6 28.0 1.0 HA B:VAL64 3.7 35.6 1.0 K B:K201 3.9 44.0 0.2 C B:THR63 3.9 32.7 1.0 CA B:VAL64 4.1 29.6 1.0 HA3 B:GLY65 4.2 44.2 1.0 N B:GLY65 4.4 37.9 1.0 N B:VAL64 4.5 32.6 1.0 HB B:THR63 4.7 35.5 1.0 CA B:GLY65 4.7 36.9 1.0 O B:GLY65 4.8 42.5 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.