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Ligand · LA3

LA3 · (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide

LA3, (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide (C27 H26 N2 O6, 474.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
LA3
Formula
C27 H26 N2 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

LA3 in 4 structures; the first of them:

  • 3LJT · Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol… · LA3 A801 · binds ASP377, THR378, LEU379, GLY380, MET381, HIS403, PHE406, THR407 and 10 more
  • 3LJZ · Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound · LA3 A801 · binds GLY183, LEU184, LEU185, ALA186, HIS187, LEU218, VAL219, HIS222 and 12 more
  • 3LJT · Crystal structure of the catalytic domain of adamts-5 in complex with an amino-2-indanol… · LA3 A801 · binds ASP377, THR378, LEU379, GLY380, MET381, HIS403, PHE406, THR407 and 10 more
  • 3LJZ · Crystal structure of human mmp-13 complexed with an amino-2-indanol compound · LA3 A801 · binds GLY183, LEU184, LEU185, ALA186, HIS187, LEU218, VAL219, HIS222 and 12 more

Residues it binds most

HIS 10, LEU 10, THR 10, PHE 10, ALA 8, GLY 10, ILE 10, GLU 10, PRO 8, TYR 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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