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Ligand · 13S

13S · 13(S)-hydroperoxy-9(Z),11(E)-octadecadienoic acid

13S, 13(S)-hydroperoxy-9(Z),11(E)-octadecadienoic acid (C18 H32 O4, 312.4 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, the residues it binds most and…

Component
13S
Formula
C18 H32 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

13S in 2 structures; the first of them:

  • 1IK3 · Lipoxygenase-3 (soybean) complex with 13(S)-hydroperoxy-9(Z),11(E)-octadecadienoic acid · 13S A1859 · binds LEU273, THR274, LEU277, VAL372, SER510, HIS513, GLN514, HIS518 and 15 more
  • 1IK3 · Lipoxygenase-3 (soybean) complex with 13(S)-hydroperoxy-9(Z),11(E)- octadecadienoic acid · 13S A1859 · binds LEU273, THR274, LEU277, VAL372, SER510, HIS513, GLN514, HIS518 and 15 more

Residues it binds most

ILE 2, LEU 2, HIS 2, GLN 2, ARG 2, ASN 2, PHE 2, SER 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • 11O · (trans-12,13-epoxy)-11-hydroxy-9(Z)-octadecenoic acid
  • 13R · 13(R)-hydroperoxy-9(Z),11(E)-octadecadienoic acid
  • 9OH · (trans-12,13-epoxy)-9-hydroxy-10(E)-octadecenoic acid
  • FE · Fe (III) ion

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