Crystal structure of human estrogen sulfotransferase in complex with in-active cofactor pap and 3,5,3',5'- tetrachloro-biphenyl-4,4'-diol

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).

Ligands and binding sites

• A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
• PCQ · 3,5,3',5'-tetrachloro-biphenyl-4,4'-diol · ligand · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 4 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 384 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

• 1G3M · Crystal structure of human estrogen sulfotransferase in complex with in-active cofactor… · the same entry in another collection · chain A against A, TM-score 1.00
• P49888 · AlphaFold monomer V2.0 prediction for sulfotransferase 1E1 (P49888) · a predicted model of the same protein · chain B 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 P49888
• Elsewhere: RCSB PDB 1G3M · PDBe 1G3M · UniProt P49888