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Ligand · 3QZ

3QZ · (9beta)-17-hydroxypregn-4-ene-3,20-dione

3QZ, (9beta)-17-hydroxypregn-4-ene-3,20-dione (C21 H30 O3, 330.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
3QZ
Formula
C21 H30 O3
Class
ligand
Structures
3
PDB entries
3

Binding sites

3QZ in 3 structures; the first of them:

  • 5IER · Structure of a computationally designed 17-OHP binder · 3QZ A201 · binds LEU12, TRP13, THR16, THR36, THR43, HIS63, LEU69, ALA91 and 6 more
  • 5IF6 · Structure of a computationally designed 17-OHP binder · 3QZ A201 · binds LEU12, THR16, TRP24, THR36, THR43, ILE64, VAL69, VAL71 and 6 more
  • 5VBU · Crystal structure of human cytochrome P450 21A2 hydroxyprogesterone complex · 3QZ A502 · binds VAL101, ASP107, SER109, LEU110, VAL198, LEU199, TRP202, ILE231 and 8 more

Residues it binds most

VAL 13, LEU 13, THR 11, TRP 13, TYR 10, ALA 10, PHE 10, ILE 5, GLY 7, ASP 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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