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Ligand · A3C

A3C · 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate

A3C, 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate (C19 H37 N O7 P2, 453.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
A3C
Formula
C19 H37 N O7 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

A3C in 4 structures; the first of them:

  • 3P5P · Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex… · A3C A911 · binds VAL584, SER587, PHE602, GLY606, GLN609, VAL610, ASP613, VAL714 and 10 more
  • 3PYB · Crystal structure of ent-copalyl diphosphate synthase from Arabidopsis thaliana in… · A3C A901 · binds LEU563, GLN791, ILE794, SER795, PHE799
  • 3P5P · Crystal structure of taxadiene synthase from pacific yew (taxus brevifolia) in complex… · A3C A911 · binds VAL584, SER587, PHE602, GLY606, GLN609, VAL610, ASP613, VAL714 and 10 more
  • 3PYB · Crystal structure of ent-copalyl diphosphate synthase from arabidopsis thaliana in… · A3C A901 · binds LEU563, GLN791, ILE794, SER795, PHE799

Residues it binds most

VAL 4, PHE 6, SER 6, ARG 4, CYS 2, GLN 4, GLU 4, GLY 2, ILE 4, TYR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • 1PE · Pentaethylene glycol
  • EDO · 1,2-ethanediol

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