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Ligand · NAE

NAE · Nicotinamide adenine dinucleotide acetone adduct

NAE, Nicotinamide adenine dinucleotide acetone adduct (C24 H31 N7 O15 P2, 719.5 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…

Component
NAE
Formula
C24 H31 N7 O15 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

NAE in 4 structures; the first of them:

  • 1B15 · Alcohol dehydrogenase from drosophila lebanonensis ternary complex with NAD-acetone · NAE A255 · binds ALA12, ALA13, LEU14, GLY15, GLY16, ILE17, GLY18, ASP37 and 26 more
  • 3I3O · 2.06 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus… · NAE A311 · binds PRO19, GLY51, ASP53, SER54, GLY55, ILE56, GLY57, TYR75 and 28 more
  • 1B15 · Alcohol dehydrogenase from drosophila lebanonensis ternary complex with NAD-acetone · NAE A255 · binds ALA12, ALA13, LEU14, GLY15, GLY16, ILE17, GLY18, ASP37 and 26 more
  • 3I3O · 2.06 ångström resolution crystal structure of a short chain dehydrogenase from bacillus… · NAE A311 · binds PRO19, GLY51, ASP53, SER54, GLY55, ILE56, GLY57, TYR75 and 28 more

Residues it binds most

GLY 18, ILE 18, PRO 18, LEU 18, TYR 18, SER 18, THR 18, ALA 18, ASP 18, VAL 18 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • CAC · Cacodylate ion

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