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Ligand · DSJ

DSJ · 1-(4-amino-2-hydroxyphenyl)ethan-1-one

DSJ, 1-(4-amino-2-hydroxyphenyl)ethan-1-one (C8 H9 N O2, 151.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
DSJ
Formula
C8 H9 N O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

DSJ in 3 structures; the first of them:

  • 5QET · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · DSJ A401 · binds LYS103, SER104, ARG105, ARG169, GLU170, ILE171
  • 5QT1 · Pandda analysis group deposition -- partial occupancy interpretation of pandda event MAP… · DSJ A504 · binds PHE296, PHE297, GLY300, TYR301, ALA302, CYS329, PHE332, ILE333 and 1 more
  • 6BIF · Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni… · DSJ A309 · binds LEU118, ALA119, GLY120, TYR202, GLU203, VAL219, GLY220, MET221 and 2 more

Residues it binds most

GLY 2, PHE 1, TYR 2, VAL 2, ALA 2, ARG 1, GLU 2, ILE 2, LEU 2, ASN 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion
  • UNX · Unknown atom or ion
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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