Barium in PDB 7awp: Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101

The structure of Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101, PDB code: 7awp was solved by J.C.Canul-Tec, P.Legrand, N.Reyes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.00 / 3.91
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	124.375, 124.375, 91.438, 90, 90, 120
R / Rfree (%)	24.6 / 29.1

The structure of Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101 also contains other interesting chemical elements:

Rubidium

(Rb)

1 atom

The binding sites of Barium atom in the Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101 (pdb code 7awp). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101, PDB code: 7awp:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba602 b:188.2 occ:0.35 O A:ALA109 3.7 118.4 1.0 O A:GLY238 3.9 126.8 1.0 CA A:GLY238 4.3 114.2 1.0 C A:GLY238 4.6 123.1 1.0 CA A:GLY241 4.8 128.8 1.0 C A:ALA109 4.9 114.6 1.0 O A:LEU237 4.9 111.3 1.0

Barium binding site 2 out of 2 in the Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Structure of the Thermostabilized EAAT1 Cryst-II Mutant in Complex with Rubidium and Barium Ions and the Allosteric Inhibitor UCPH101 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba603 b:150.3 occ:0.60 O A:TYR127 2.7 132.8 1.0 OG1 A:THR131 2.7 146.1 1.0 OD1 A:ASP380 2.7 135.2 1.0 OD1 A:ASN378 2.7 136.4 1.0 CA A:TYR127 3.2 120.2 1.0 OG1 A:THR130 3.2 140.2 1.0 C A:TYR127 3.3 133.1 1.0 CG A:ASN378 3.4 135.2 1.0 CG A:ASP380 3.6 133.2 1.0 CA A:ASN378 3.7 100.3 1.0 N A:MET379 3.7 107.1 1.0 CB A:TYR127 3.8 114.0 1.0 CD1 A:TYR127 3.9 107.2 1.0 OD2 A:ASP380 3.9 138.2 1.0 CB A:ASN378 4.0 101.0 1.0 CB A:THR131 4.0 148.5 1.0 N A:THR131 4.2 143.9 1.0 C A:ASN378 4.2 106.3 1.0 O A:TYR126 4.3 136.5 1.0 N A:ASP380 4.3 117.8 1.0 N A:TYR127 4.3 124.2 1.0 CG A:TYR127 4.3 108.0 1.0 ND2 A:ASN378 4.4 127.6 1.0 CB A:THR130 4.6 147.6 1.0 N A:MET128 4.6 137.8 1.0 CA A:THR131 4.6 143.1 1.0 N A:ASN378 4.7 96.5 1.0 C A:TYR126 4.7 133.8 1.0 CB A:ASP380 4.8 125.2 1.0 CA A:MET379 4.8 110.2 1.0 C A:THR130 4.9 150.8 1.0 O A:ILE377 4.9 106.0 1.0 CA A:ASP380 5.0 123.0 1.0

J.Canul-Tec, J.Dhenin, R.Assal, P.Legrand, R.Martial, J.Chamoot-Rooke, N.Reyes. Ion-Coupling Mechanism of Excitatory Amino Acid Transporters To Be Published.