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Ligand · 3IT

3IT · 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one

3IT, 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one (C10 H10 O2, 162.2 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, the residues it binds most…

Component
3IT
Formula
C10 H10 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3IT in 2 structures; the first of them:

  • 4YRD · Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone · 3IT A402 · binds PHE262, ASN277, LYS285, GLY286, HIS288, GLU295, PHE297, HIS337 and 2 more
  • 4YRD · Crystal structure of capf with inhibitor 3-isopropenyl-tropolone · 3IT A402 · binds PHE262, ASN277, LYS285, GLY286, HIS288, GLU295, PHE297, HIS337 and 2 more

Residues it binds most

HIS 4, PHE 4, ASN 4, GLU 4, GLY 4, ILE 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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