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

Structure

x-ray diffraction · 3 distinct chains · 59% helix, 7% strand (DSSP).

Ligands and binding sites

• GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
• LU2 · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-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

6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• B–C · 525 Ų buried · 7 hydrogen bonds · protein-protein
• B–D · 519 Ų buried · 4 hydrogen bonds · protein-protein
• A–B · 440 Ų buried · 16 hydrogen bonds · protein-protein
• C–D · 363 Ų buried · 5 hydrogen bonds · protein-protein
• A–D · 299 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 7EBV · 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 7EBV · PDBe 7EBV · UniProt A0A1S4FIB3