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Ligand · XRJ

XRJ · 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide

XRJ, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide (C13 H26 N2 O4, 274.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
XRJ
Formula
C13 H26 N2 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

XRJ in 1 structure; the first of them:

  • 5ABF · Structure of GH84 with ligand · XRJ A1717 · binds GLY135, PHE136, TYR137, LYS166, ASP242, ASP243, CYS278, TYR282 and 11 more

Residues it binds most

ASP 2, TYR 2, ASN 2, TRP 2, VAL 2, CYS 2, GLY 2, HIS 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol

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