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Ligand · HE7

HE7 · 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid

HE7, 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid (C22 H28 O5, 372.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
HE7
Formula
C22 H28 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

HE7 in 2 structures; the first of them:

  • 2Z77 · X-ray crystal structure of RV0760c from Mycobacterium tuberculosis in complex with… · HE7 A200 · binds ASP40, VAL46, THR47, HIS67, LEU95, SER97, PHE99, PHE103 and 5 more
  • 2Z77 · X-ray crystal structure of RV0760C from mycobacterium tuberculosis in complex with… · HE7 B200 · binds ASP40, VAL46, THR47, HIS67, ASN71, LEU73, LEU95, SER97 and 10 more

Residues it binds most

PHE 6, LEU 6, SER 6, VAL 6, TRP 6, ASP 6, HIS 6, MET 6, THR 6, ASN 4 (residue and the binding sites it lines).

Found with

  • NCA · Nicotinamide
  • ACT · Acetate ion

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