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Ligand · 0XR

0XR · ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

0XR, ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (C11 H12 O4, 208.2 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…

Component
0XR
Formula
C11 H12 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

0XR in 4 structures; the first of them:

  • 4GQQ · Human pancreatic alpha-amylase with bound ethyl caffeate · 0XR A502 · binds ASP236, LYS243, SER244, SER245, PHE248, GLU255, LYS257, GLU282 and 4 more
  • 4PWG · Crystal structure of V30M mutant human transthyretin complexed with caffeic acid ethyl… · 0XR A201 · binds LYS15, LEU17, THR106, ALA108, LEU110, SER117, THR118, THR119
  • 4GQQ · Human pancreatic alpha-amylase with bound ethyl caffeate · 0XR A502 · binds ASP236, LYS243, SER244, SER245, PHE248, GLU255, LYS257, GLU282 and 4 more
  • 4PWG · Crystal structure of V30M mutant human transthyretin complexed with caffeic acid ethyl… · 0XR A201 · binds LYS15, LEU17, THR106, ALA108, LEU110, SER117, THR118, THR119

Residues it binds most

LEU 8, THR 6, GLU 6, LYS 6, SER 6, VAL 6, ASP 6, ALA 4, ARG 4, PHE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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