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Ligand · 4PA

4PA · Propyl acetate

4PA, Propyl acetate (C5 H10 O2, 102.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 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
4PA
Formula
C5 H10 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

4PA in 4 structures; the first of them:

  • 1TQH · Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus… · 4PA A701 · binds GLY24, PHE25, GLY27, ASP31, LEU93, SER94, LEU95, MET195 and 2 more
  • 2O7R · Plant carboxylesterase AeCXE1 from Actinidia eriantha with acyl adduct · 4PA A369 · binds GLY91, GLY92, GLY93, PHE94, SER169, ALA170, GLY203, ILE230 and 3 more
  • 1TQH · Covalent reaction intermediate revealed in crystal structure of the geobacillus… · 4PA A701 · binds GLY24, PHE25, GLY27, ASP31, LEU93, SER94, LEU95, MET195 and 2 more
  • 2O7R · Plant carboxylesterase AECXE1 from actinidia eriantha with acyl adduct · 4PA A369 · binds GLY91, GLY92, GLY93, PHE94, SER169, ALA170, GLY203, ILE230 and 3 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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