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Ligand · HJ5

HJ5 · [(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium

HJ5, [(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium (C24 H32 N3 O4 P +2, 457.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
HJ5
Formula
C24 H32 N3 O4 P +2
Class
ligand
Structures
2
PDB entries
1

Binding sites

HJ5 in 2 structures; the first of them:

  • 6Q4R · High-resolution crystal structure of ERAP1 with bound phosphinic transition-state… · HJ5 A1009 · binds GLN181, GLU183, PRO184, SER316, GLY317, ALA318, MET319, GLU320 and 10 more
  • 6Q4R · High-resolution crystal structure of ERAP1 with bound phosphinic transition-state… · HJ5 A1009 · binds GLN181, GLU183, SER316, GLY317, ALA318, MET319, GLU320, THR350 and 8 more

Residues it binds most

GLU 2, HIS 2, SER 2, ALA 2, GLN 2, GLY 2, MET 2, PHE 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MLT · D-malate
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
  • EDO · 1,2-ethanediol
  • P6G · Hexaethylene glycol
  • PG4 · Tetraethylene glycol

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