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Ligand · XJO

XJO · (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate

XJO, (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate (C27 H39 N O5, 457.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
XJO
Formula
C27 H39 N O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

XJO in 2 structures; the first of them:

  • 4UMZ · PikC D50N mutant in complex with the engineered substrate mimic bearing a… · XJO A1408 · binds TRP74, LEU81, GLU85, LEU88, ASN89, ASN91, LEU93, GLU94 and 13 more
  • 4UMZ · Pikc D50N mutant in complex with the engineered substrate mimic bearing a… · XJO A1408 · binds TRP74, LEU81, GLU85, LEU88, ASN89, ASN91, LEU93, GLU94 and 13 more

Residues it binds most

GLU 4, LEU 4, VAL 4, ASN 4, ILE 4, THR 4, ALA 4, HIS 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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