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Ligand · EMO

EMO · 3-methyl-1,6,8-trihydroxyanthraquinone

EMO, 3-methyl-1,6,8-trihydroxyanthraquinone (C15 H10 O5, 270.2 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (14 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
EMO
Formula
C15 H10 O5
Class
ligand
Structures
18
PDB entries
14

Binding sites

EMO in 18 structures; the first of them:

  • 1F0Q · Crystal structure of the alpha subunit of protein kinase CK2 in complex with the… · EMO A400 · binds VAL45, GLY46, ARG47, GLY48, VAL53, ILE66, LYS68, GLU81 and 9 more
  • 2RH4 · Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin · EMO A401 · binds PRO94, GLY95, SER144, THR145, GLY146, GLN149, VAL151, ALA154 and 3 more
  • 2RHC · Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin · EMO A401 · binds PRO94, GLY95, SER144, THR145, GLY146, GLN149, VAL151, ALA154 and 2 more
  • 2RHR · P94L actinorhodin ketordeuctase mutant, with NADPH and Inhibitor Emodin · EMO A302 · binds LEU94, SER144, THR145, TYR157, PRO187, GLY188, PHE189, MET194 and 7 more
  • 3BQC · High pH-value crystal structure of emodin in complex with the catalytic subunit of… · EMO A400 · binds LEU45, VAL53, VAL66, LYS68, GLU81, ILE95, PHE113, VAL116 and 6 more
  • 3C13 · Low pH-value crystal structure of emodin in complex with the catalytic subunit of protein… · EMO A400 · binds LEU45, VAL53, VAL66, LYS68, GLU81, ILE95, PHE113, VAL116 and 5 more
  • 3CSD · Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH and the Inhibitor Emodin · EMO B302 · binds LEU94, SER144, THR145, GLY146, GLN149, VAL151, ALA154, TYR157 and 3 more
  • 3ED0 · Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from… · EMO A163 · binds HIS58, PHE59, ILE64, PHE109, ARG110, ILE111, PRO112, ILE98 and 3 more
  • 3PZH · Crystal structure of maize CK2 alpha in complex with emodin at 1.92 A resolution · EMO A1 · binds VAL45, GLY46, VAL53, ILE66, LYS68, GLU81, VAL95, PHE113 and 6 more
  • 3Q9W · Crystal structure of human CK2 alpha in complex with emodin at pH 8.5 · EMO A400 · binds LEU45, VAL53, VAL66, LYS68, GLU81, ILE95, PHE113, VAL116 and 6 more
  • 3Q9X · Crystal structure of human CK2 alpha in complex with emodin at pH 6.5 · EMO A400 · binds LEU45, GLY46, VAL53, VAL66, LYS68, GLU81, ILE95, PHE113 and 4 more
  • 3RI3 · Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH and the Inhibitor Emodin · EMO B302 · binds LEU94, SER144, THR145, GLY146, GLN149, VAL151, TYR157, VAL198 and 2 more
  • 7WH9 · holo structure of emodin 1-OH O-methyltransferase complex with emodin and… · EMO A601 · binds TYR173, LEU176, GLU180, ALA181, TRP208, ARG218, TRP219, MET265 and 10 more
  • 7YB2 · Crystal Structure of anthrol reductase (CbAR) in complex with NADP+ and emodin · EMO A301 · binds VAL105, SER151, ASN152, THR153, TYR165, GLY196, GLY197, MET202 and 6 more
  • 1F0Q · Crystal structure of the alpha subunit of protein kinase CK2 in complex with the… · EMO A400 · binds VAL45, GLY46, ARG47, GLY48, VAL53, ILE66, LYS68, GLU81 and 9 more
  • 2RH4 · Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin · EMO A401 · binds PRO94, GLY95, SER144, THR145, GLY146, GLN149, VAL151, ALA154 and 3 more
  • 2RHC · Actinorhodin ketordeuctase, actkr, with NADP+ and inhibitor emodin · EMO A401 · binds PRO94, GLY95, SER144, THR145, GLY146, GLN149, VAL151, ALA154 and 2 more
  • 2RHR · P94L actinorhodin ketordeuctase mutant, with NADPH and inhibitor emodin · EMO A302 · binds LEU94, SER144, THR145, TYR157, PRO187, GLY188, PHE189, MET194 and 7 more

Residues it binds most

VAL 29, GLY 26, LEU 23, TYR 24, ILE 21, PHE 27, MET 21, ALA 17, SER 20, THR 23 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CL · Chloride ion
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • BEN · Benzamidine
  • SAH · S-adenosyl-L-homocysteine
  • 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol
  • ACT · Acetate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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