Barium in PDB 7awn: Structure of the Thermostabilized EAAT1 Cryst Mutant in Complex with Rubidium and Barium and the Allosteric Inhibitor UCPH101

The structure of Structure of the Thermostabilized EAAT1 Cryst Mutant in Complex with Rubidium and Barium and the Allosteric Inhibitor UCPH101, PDB code: 7awn 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)	21.85 / 3.92
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	124.236, 124.236, 91.22, 90, 90, 120
R / Rfree (%)	23 / 27.9

The structure of Structure of the Thermostabilized EAAT1 Cryst Mutant in Complex with Rubidium and Barium 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 Mutant in Complex with Rubidium and Barium and the Allosteric Inhibitor UCPH101 (pdb code 7awn). 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 Mutant in Complex with Rubidium and Barium and the Allosteric Inhibitor UCPH101, PDB code: 7awn:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Structure of the Thermostabilized EAAT1 Cryst Mutant in Complex with Rubidium and Barium 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 Mutant in Complex with Rubidium and Barium and the Allosteric Inhibitor UCPH101 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba602 b:166.0 occ:0.35 OE1 A:GLN245 4.4 140.5 1.0

Barium binding site 2 out of 2 in the Structure of the Thermostabilized EAAT1 Cryst Mutant in Complex with Rubidium and Barium 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 Mutant in Complex with Rubidium and Barium and the Allosteric Inhibitor UCPH101 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba603 b:155.9 occ:0.60 OD1 A:ASP380 2.6 140.2 1.0 OD1 A:ASN378 2.7 142.3 1.0 CG A:ASP380 3.0 138.7 1.0 OG1 A:THR130 3.0 140.8 1.0 OD2 A:ASP380 3.1 143.3 1.0 O A:TYR127 3.1 134.2 1.0 OG1 A:THR131 3.2 149.4 1.0 CG A:ASN378 3.3 141.5 1.0 CA A:TYR127 3.5 121.1 1.0 ND2 A:ASN378 3.7 134.1 1.0 C A:TYR127 3.7 133.3 1.0 CD1 A:TYR127 3.8 110.8 1.0 N A:MET379 3.9 114.0 1.0 N A:ASP380 4.1 124.8 1.0 CB A:TYR127 4.2 116.0 1.0 CA A:ASN378 4.2 106.9 1.0 CB A:ASP380 4.3 131.7 1.0 CB A:ASN378 4.3 107.8 1.0 O A:TYR126 4.3 134.5 1.0 CB A:THR130 4.4 147.2 1.0 CG A:TYR127 4.5 110.8 1.0 N A:THR131 4.5 144.6 1.0 CB A:THR131 4.5 150.8 1.0 N A:TYR127 4.5 123.6 1.0 C A:ASN378 4.6 113.4 1.0 CA A:ASP380 4.7 130.3 1.0 CE2 A:TYR126 4.7 125.4 1.0 CE1 A:TYR127 4.8 106.5 1.0 C A:TYR126 4.8 131.8 1.0 C A:THR130 4.9 151.2 1.0 CD2 A:TYR126 4.9 124.5 1.0 CA A:MET379 4.9 117.6 1.0 CA A:THR131 4.9 145.0 1.0 C A:MET379 5.0 128.0 1.0

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