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Ligand · ATO

ATO · Chloroacetone

ATO, Chloroacetone (C3 H5 Cl O, 92.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
ATO
Formula
C3 H5 Cl O
Class
ligand
Structures
3
PDB entries
2

Binding sites

ATO in 3 structures; the first of them:

  • 1DWQ · Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta in Complex with… · ATO A1259 · binds THR11, ILE12, HIS14, SER80, CSA81, TRP128, LEU149, LEU158 and 3 more
  • 1DWQ · Crystal structure of hydroxynitrile lyase from manihot esculenta in complex with… · ATO A1259 · binds THR11, ILE12, HIS14, SER80, CSA81, TRP128, LEU149, LEU158 and 3 more
  • 1UK4 · Crystal structure of SARS coronavirus main proteinase (3CLPRO) complexed with an inhibitor · ATO A1006 · binds SER144, CYS145, HIS163, HIS164, LEU4, GLN5

Residues it binds most

HIS 4, LEU 4, ILE 2, SER 3, CSA 2, CYS 2, GLN 2, PHE 2, THR 2, TRP 2 (residue and the binding sites it lines).

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