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Ligand · XXL

XXL · ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate

XXL, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate (C12 H13 N O4, 235.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
XXL
Formula
C12 H13 N O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

XXL in 2 structures; the first of them:

  • 5AG7 · Crystal structure of leishmania major N-myristoyltransferase (nmt) with bound… · XXL A1422 · binds VAL81, GLU82, ASP83, PHE88, ARG89, PHE90, TYR217, HIS219 and 5 more
  • 8QUI · Hexameric HIV-1 CA in complex with DDD00024969 · XXL A301 · binds ASN53, LEU56, ASN57, MET66, LEU69, LYS70, ILE73, ASN74 and 5 more

Residues it binds most

ASN 2, LEU 2, PHE 1, TYR 2, ALA 1, SER 2, ARG 1, ASP 1, GLU 1, HIS 1 (residue and the binding sites it lines).

Found with

  • MYA · Tetradecanoyl-coa

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