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Ligand · DEI

DEI · (2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid

DEI, (2Z)-2-hydroxy-3-(methylsulfanyl)prop-2-enoic acid (C4 H6 O3 S, 134.2 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
DEI
Formula
C4 H6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

DEI in 2 structures; the first of them:

  • 2ZTW · Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ · DEI A401 · binds ARG94, ASN102, ARG104, ARG132, LEU134, SER259, SER261, GLU270 and 2 more
  • 2ZTW · Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ · DEI A401 · binds ARG94, ASN102, ARG104, ARG132, LEU134, SER259, SER261, GLU270 and 2 more

Residues it binds most

ARG 2, SER 2, ASN 2, GLU 2, LEU 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • MG · Magnesium ion

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