Barium in PDB 4pdr: Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium

The structure of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium, PDB code: 4pdr 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)	28.81 / 1.85
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.042, 68.042, 89.627, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.7

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

Sodium

(Na)

2 atoms

The binding sites of Barium atom in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium (pdb code 4pdr). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 6 binding sites of Barium where determined in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium, PDB code: 4pdr:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6;

Barium binding site 1 out of 6 in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba201 b:21.6 occ:0.25 O A:HOH312 2.7 29.6 0.2 O A:THR63 2.7 24.0 1.0 O A:VAL64 2.8 21.8 1.0 C A:VAL64 3.6 21.6 1.0 C A:THR63 3.9 22.9 1.0 CA A:VAL64 4.2 21.7 1.0 N A:GLY65 4.5 20.6 1.0 N A:VAL64 4.5 21.1 1.0 CA A:GLY65 4.7 21.7 1.0 O A:GLY65 4.9 24.7 1.0

Barium binding site 2 out of 6 in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba202 b:24.0 occ:0.11 BA A:BA203 2.8 25.1 0.1 O A:GLY65 2.9 24.7 1.0 O A:HOH312 3.0 29.6 0.2 O A:TYR66 3.0 24.2 1.0 C A:TYR66 3.5 24.9 1.0 CA A:TYR66 3.9 25.3 1.0 C A:GLY65 4.0 25.7 1.0 N A:GLY67 4.4 22.3 1.0 N A:TYR66 4.4 27.8 1.0 CA A:GLY67 4.8 26.5 1.0

Barium binding site 3 out of 6 in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba203 b:25.1 occ:0.15 O A:HOH311 2.7 61.6 1.0 O A:TYR66 2.7 24.2 1.0 BA A:BA202 2.8 24.0 0.1 O A:HOH320 3.7 42.0 0.2 C A:TYR66 3.8 24.9 1.0 CA A:GLY67 4.4 26.5 1.0 N A:GLY67 4.6 22.3 1.0 CA A:TYR66 4.9 25.3 1.0 C A:GLY67 4.9 32.1 1.0 O A:GLY65 4.9 24.7 1.0

Barium binding site 4 out of 6 in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba201 b:36.5 occ:0.22 O B:THR63 2.8 34.8 1.0 O B:VAL64 2.9 45.6 1.0 C B:VAL64 3.6 37.4 1.0 C B:THR63 3.9 34.9 1.0 CA B:VAL64 4.1 33.3 1.0 N B:GLY65 4.5 50.2 1.0 N B:VAL64 4.5 33.8 1.0 O B:GLY65 4.7 81.6 1.0 CA B:GLY65 4.8 59.1 1.0 NA B:NA204 5.0 36.5 0.2

Barium binding site 5 out of 6 in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba202 b:89.2 occ:0.10 O B:TYR66 3.1 83.0 1.0 BA B:BA203 3.2 75.6 0.1 C B:TYR66 4.3 82.8 1.0 CA B:GLY67 4.5 98.1 1.0 C B:GLY67 4.8 0.8 1.0 N B:GLY67 4.9 96.2 1.0 O B:GLY67 4.9 0.6 1.0

Barium binding site 6 out of 6 in the Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of Crystal Structure of A K+ Selective Nak Mutant in Barium and Sodium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba203 b:75.6 occ:0.11 O B:TYR66 3.0 83.0 1.0 O B:GLY65 3.1 81.6 1.0 BA B:BA202 3.2 89.2 0.1 C B:TYR66 3.7 82.8 1.0 CA B:TYR66 4.2 79.6 1.0 C B:GLY65 4.2 80.4 1.0 N B:GLY67 4.6 96.2 1.0 N B:TYR66 4.7 69.5 1.0 CA B:GLY67 4.9 98.1 1.0

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