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Ligand · 098

098 · (3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide

098, (3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide (C24 H29 N3 O5, 439.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
098
Formula
C24 H29 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

098 in 2 structures; the first of them:

  • 3HY9 · Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol… · 098 A801 · binds HIS373, ASP377, THR378, LEU379, GLY380, MET381, THR407, HIS410 and 8 more
  • 3HY9 · Crystal structure of the catalytic domain of adamts-5 in complex with an amino-2-indanol… · 098 A801 · binds HIS373, ASP377, THR378, LEU379, GLY380, MET381, THR407, HIS410 and 8 more

Residues it binds most

HIS 4, LEU 4, SER 4, THR 4, ASP 4, GLU 4, GLY 4, ILE 4, MET 4, PHE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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