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Ligand · 9P5

9P5 · (1R,3R)-2-[(S)-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl) ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol

9P5, (1R,3R)-2-[(S)-[2-chloranyl-3-[2-(1,3-dioxolan-2-yl) ethoxy]-4-methylsulfonyl-phenyl]-oxidanyl-methyl]cyclohexane-1,3-diol (C19 H27 Cl O8 S, 450.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
9P5
Formula
C19 H27 Cl O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9P5 in 2 structures; the first of them:

  • 7X5R · Crystal structure of AtHPPD-Lancotrione complex · 9P5 A502 · binds HIS226, VAL228, SER267, PRO280, ASN282, HIS308, MET335, LEU368 and 9 more
  • 7X5R · Crystal structure of athppd-lancotrione complex · 9P5 A502 · binds HIS226, VAL228, SER267, PRO280, ASN282, HIS308, MET335, LEU368 and 9 more

Residues it binds most

PHE 2, ASN 2, HIS 2, LEU 2, GLN 2, GLU 2, GLY 2, MET 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • BCN · Bicine
  • CO · Cobalt (II) ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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