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

Protein crystallography data

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

Other elements in 4pdr:

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

Barium Binding Sites:

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 4pdr

Go back to Barium Binding Sites List in 4pdr
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 4pdr

Go back to Barium Binding Sites List in 4pdr
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 4pdr

Go back to Barium Binding Sites List in 4pdr
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 4pdr

Go back to Barium Binding Sites List in 4pdr
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 4pdr

Go back to Barium Binding Sites List in 4pdr
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 4pdr

Go back to Barium Binding Sites List in 4pdr
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

Reference:

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.
Page generated: Sat Dec 12 01:56:54 2020

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