Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 2% strand (DSSP).

Ligands and binding sites

• 6Z6 · 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile · ligand · chains A
• BA · Barium ion · metal · 2 copies · chains A
• RB · Rubidium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Compared structures

• 7AWN · Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium… · the same entry in another collection · chain A against A, TM-score 1.00
• P43003 · AlphaFold monomer V2.0 prediction for excitatory amino acid transporter 1 (P43003) · a predicted model of the same protein · chain A against A, TM-score 0.96
• Q15758 · AlphaFold monomer V2.0 prediction for neutral amino acid transporter B(0) (Q15758) · a predicted model of the same protein · chain A against A, TM-score 0.93

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P43003
• Every structure of UniProt Q15758
• Elsewhere: RCSB PDB 7AWN · PDBe 7AWN · UniProt P43003 · UniProt Q15758