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Ligand · A4S

A4S · (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate

A4S, (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate (C16 H25 N O7 P2, 405.3 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…

Component
A4S
Formula
C16 H25 N O7 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A4S in 2 structures; the first of them:

  • 4RNQ · Crystal structure of tobacco 5-epi-aristolochene synthase (TEAS) with anilinogeranyl… · A4S A604 · binds ARG264, TRP273, ILE294, ILE297, SER298, ASP301, ASP305, GLU379 and 13 more
  • 4RNQ · Crystal structure of tobacco 5-epi-aristolochene synthase (teas) with anilinogeranyl… · A4S A604 · binds ARG264, TRP273, ILE294, ILE297, SER298, ASP301, ASP305, GLU379 and 13 more

Residues it binds most

ASP 2, THR 2, TYR 2, ARG 2, GLU 2, ILE 2, CYS 2, LEU 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • 1GA · Geraniline
  • DPO · Diphosphate
  • MG · Magnesium ion
  • ACT · Acetate ion

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