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Ligand · ROA

ROA · (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid

ROA, (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid (C18 H16 O8, 360.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
ROA
Formula
C18 H16 O8
Class
ligand
Structures
4
PDB entries
2

Binding sites

ROA in 4 structures; the first of them:

  • 6MQD · Myotoxin II from Bothrops moojeni complexed with Rosmarinic Acid · ROA A201 · binds LEU122, PRO125, PHE126, CYS127, LYS128, ASN17, PRO18, ALA19
  • 7BM3 · Notum Rosmarinic acid complex · ROA A515 · binds GLY127, TRP128, TYR129, SER232, ALA233, PHE268, PRO287, THR288 and 6 more
  • 6MQD · Myotoxin II from bothrops moojeni complexed with rosmarinic acid · ROA A201 · binds LEU122, PRO125, PHE126, CYS127, LYS128, ASN17, PRO18, ALA19
  • 7BM3 · Notum rosmarinic acid complex · ROA A515 · binds GLY127, TRP128, TYR129, SER232, ALA233, PHE268, PRO287, THR288 and 6 more

Residues it binds most

PRO 8, ALA 4, GLY 6, PHE 4, ASN 4, ASP 4, CYS 4, GLN 4, LYS 4, SER 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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