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Ligand · XDA

XDA · 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate

XDA, 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate (C20 H28 N3 O8 P, 469.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
XDA
Formula
C20 H28 N3 O8 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

XDA in 2 structures; the first of them:

  • 4O5T · Crystal structure of Diels-Alderase CE20 in complex with a product analog · XDA A400 · binds SER39, LEU42, ILE43, ALA45, ASN46, ILE87, MET103, ALA133 and 11 more
  • 4O5T · Crystal structure of diels-alderase CE20 in complex with a product analog · XDA A400 · binds SER39, LEU42, ILE43, ALA45, ASN46, ILE87, MET103, ALA133 and 11 more

Residues it binds most

ALA 4, ILE 4, LEU 4, ASN 4, CYS 4, GLN 4, HIS 4, LYS 4, MET 4, PRO 4 (residue and the binding sites it lines).

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