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Ligand · 9AX

9AX · (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

9AX, (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate (C20 H36 O7 P2, 450.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
9AX
Formula
C20 H36 O7 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

9AX in 4 structures; the first of them:

  • 3WQN · Crystal structure of Rv3378c_Y51F with TPP · 9AX A301 · binds PHE33, GLY35, THR36, ARG37, ARG38, GLN52, ALA55, LEU56 and 7 more
  • 4KT8 · The complex structure of Rv3378c-Y51FY90F with substrate, TPP · 9AX A301 · binds PHE33, ASP34, GLY35, THR36, ARG37, ARG38, PHE51, GLN52 and 11 more
  • 3WQN · Crystal structure of RV3378C_Y51F with tpp · 9AX A301 · binds PHE33, GLY35, THR36, ARG37, ARG38, GLN52, ALA55, LEU56 and 7 more
  • 4KT8 · The complex structure of RV3378C-Y51FY90F with substrate, tpp · 9AX A301 · binds PHE33, ASP34, GLY35, THR36, ARG37, ARG38, PHE51, GLN52 and 11 more

Residues it binds most

PHE 4, ARG 4, GLY 4, LEU 4, GLN 4, TYR 4, ALA 4, ILE 4, SER 4, THR 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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