Crystal structure of sjgst in complex with gsh and ellagic acid at 1.53 ångström resolution

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 8% strand (DSSP).

Ligands and binding sites

• GSH · Glutathione · ligand · 2 copies · chains A, B
• REF · 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione · ligand · chains A, B
• NA · Sodium ion · metal · 2 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1462 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

• 6RWD · Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom… · the same entry in another collection · chain A against A, TM-score 1.00
• P08515 · AlphaFold monomer V2.0 prediction for glutathione S-transferase class-mu 26 kda isozyme… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P08515
• Elsewhere: RCSB PDB 6RWD · PDBe 6RWD · UniProt P08515