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Ligand · MDE

MDE · 5-mercaptoethanol-2-decenoyl-coenzyme A

MDE, 5-mercaptoethanol-2-decenoyl-coenzyme A (C33 H55 N7 O18 P3 S2 +1, 994.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
MDE
Formula
C33 H55 N7 O18 P3 S2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

MDE in 2 structures; the first of them:

  • 1PS9 · The Crystal Structure and Reaction Mechanism of E. coli 2,4-Dienoyl CoA Reductase · MDE A704 · binds HIS26, GLY67, LEU102, THR104, PRO122, ILE123, GLU164, TYR166 and 12 more
  • 1PS9 · The crystal structure and reaction mechanism of E. COLI 2,4-dienoyl CoA reductase · MDE A704 · binds HIS26, GLY67, LEU102, THR104, PRO122, ILE123, GLU164, TYR166 and 12 more

Residues it binds most

THR 2, ARG 2, GLU 2, HIS 2, ILE 2, LEU 2, LYS 2, GLY 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FMN · Flavin mononucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SF4 · Iron/sulfur cluster
  • CL · Chloride ion

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