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Ligand · A3D

A3D · 3-acetylpyridine adenine dinucleotide

A3D, 3-acetylpyridine adenine dinucleotide (C22 H28 N6 O14 P2, 662.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
A3D
Formula
C22 H28 N6 O14 P2
Class
ligand
Structures
2
PDB entries
2

Binding sites

A3D in 2 structures; the first of them:

  • 8QGW · Crystal structure of oxidized respiratory Complex I subunits NuoEF from Aquifex aeolicus… · A3D B503 · binds GLY67, GLY68, ALA69, PHE71, LYS76, PHE79, TYR180, GLU185 and 9 more
  • 8QH4 · Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus… · A3D B503 · binds GLY67, GLY68, ALA69, PHE71, LYS76, PHE79, TYR180, GLU185 and 8 more

Residues it binds most

GLY 4, VAL 4, TYR 4, LYS 4, PHE 4, LEU 4, ALA 4, GLU 4, PRO 4 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • SF4 · Iron/sulfur cluster
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • FMN · Flavin mononucleotide
  • FNR · 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol
  • K · Potassium ion
  • CL · Chloride ion

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