Crystal structure of aedes aegypti noppera-bo, glutathione S- transferase epsilon 8, in daidzein- and glutathione-bound form

Structure

x-ray diffraction · 4 distinct chains · 59% helix, 7% strand (DSSP).

Ligands and binding sites

• GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
• ZF1 · 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one · ligand · 4 copies · chains A, B, C, D
• CA · Calcium ion · metal · 8 copies · chains A, B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• B–C · 493 Ų buried · 7 hydrogen bonds · protein-protein
• A–B · 394 Ų buried · 14 hydrogen bonds · protein-protein
• B–D · 380 Ų buried · 3 hydrogen bonds · protein-protein
• A–D · 308 Ų buried · 5 hydrogen bonds · protein-protein
• C–D · 290 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 7EBU · Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in… · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A1S4FIB3
• Elsewhere: RCSB PDB 7EBU · PDBe 7EBU · UniProt A0A1S4FIB3