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Ligand · ID3

ID3 · (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

ID3, (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (C13 H20 O, 192.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
ID3
Formula
C13 H20 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

ID3 in 4 structures; the first of them:

  • 3OAX · Crystal structure of bovine rhodopsin with beta-io · ID3 A6025 · binds PHE283, GLY284, PRO285, ILE286, PHE287, ILE290
  • 3OFU · Crystal Structure of Cytochrome P450 CYP101C1 · ID3 A397 · binds LEU72, LEU78, PHE84, LEU87, PHE233, GLY234, ASP237, THR238 and 4 more
  • 3OAX · Crystal structure of bovine rhodopsin with beta-ionone · ID3 A6025 · binds PHE283, GLY284, PRO285, ILE286, PHE287, ILE290
  • 3OFU · Crystal structure of cytochrome P450 CYP101C1 · ID3 A397 · binds LEU72, LEU78, PHE84, LEU87, PHE233, GLY234, ASP237, THR238 and 4 more

Residues it binds most

LEU 6, PHE 10, VAL 6, GLY 10, ASP 8, ILE 4, ASN 6, THR 6, ARG 2, MET 2 (residue and the binding sites it lines).

Found with

  • 4E6 · (4E,6E)-hexadeca-1,4,6-triene
  • HEM · Protoporphyrin IX containing Fe
  • HTO · Heptane-1,2,3-triol
  • PLM · Palmitic acid
  • RET · Retinal
  • HG · Mercury (II) ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • HTG · heptyl 1-thio-beta-D-glucopyranoside
  • ACE · Acetyl group

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