Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve inhibitor tfb-tboa and the allosteric inhibitor UCPH101

Structure

x-ray diffraction · 1 distinct chain · 76% 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
• 7O9 · (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl) phenyl]carbonylamino]phenyl]methoxy]butanedioic acid · ligand · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 5MJU · Structure of the thermostabilized EAAT1 cryst mutant in complex with the competititve… · 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 0.94

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 5MJU · PDBe 5MJU · UniProt P43003 · UniProt Q15758