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Ligand · CNL

CNL · 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

CNL, 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (C10 H18 O, 154.2 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
CNL
Formula
C10 H18 O
Class
ligand
Structures
14
PDB entries
7

Binding sites

CNL in 14 structures; the first of them:

  • 1T2B · Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole · CNL A500 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 3BE0 · The Role of Asn 242 in P450cin · CNL A500 · binds THR77, TYR81, LEU88, ILE234, LEU237, GLY238, ALA242, MET286 and 3 more
  • 4FMX · Crystal Structure of Substrate-Bound P450cin · CNL A502 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 4FYZ · Crystal Structure of Nitrosyl Cytochrome P450cin · CNL A502 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 4L6G · Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole · CNL A502 · binds VAL76, THR77, PHE81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 4L77 · P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility · CNL A502 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 5 more
  • 4LHT · Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole · CNL A502 · binds VAL76, THR77, PHE81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 1T2B · Crystal structure of cytochrome P450CIN complexed with its substrate 1,8-cineole · CNL A500 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 3BE0 · The role of asn 242 in P450CIN · CNL A500 · binds THR77, TYR81, LEU88, ILE234, LEU237, GLY238, ALA242, MET286 and 3 more
  • 4FMX · Crystal structure of substrate-bound P450CIN · CNL A502 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 4FYZ · Crystal structure of nitrosyl cytochrome P450CIN · CNL A502 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 4L6G · Crystal structure of P450CIN Y81F mutant, crystallized in 7 mm 1,8- cineole · CNL A502 · binds VAL76, THR77, PHE81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more
  • 4L77 · P450CIN active site water: implications for substrate binding and solvent accessibility · CNL A502 · binds VAL76, THR77, TYR81, LEU88, ALA91, ILE234, LEU237, GLY238 and 5 more
  • 4LHT · Crystal structure of P450CIN Y81F mutant, crystallized in 3 mm 1,8- cineole · CNL A502 · binds VAL76, THR77, PHE81, LEU88, ALA91, ILE234, LEU237, GLY238 and 6 more

Residues it binds most

VAL 28, ALA 28, LEU 28, GLN 28, GLY 28, ILE 28, THR 28, MET 24, ASN 20, TYR 20 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol
  • CL · Chloride ion
  • NO · Nitric oxide
  • GOL · Glycerol

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