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Ligand · VPG

VPG · 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3, 4-d]pyrimidin-4-amine

VPG, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3, 4-d]pyrimidin-4-amine (C18 H20 Cl2 N5 O7 P, 520.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VPG
Formula
C18 H20 Cl2 N5 O7 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

VPG in 2 structures; the first of them:

  • 7JV9 · Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 · VPG A605 · binds ASP36, HIS38, ASP85, ASN117, HIS118, ASP121, LEU184, SER185 and 15 more
  • 7JV9 · Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 · VPG A605 · binds ASP85, ASN117, HIS118, ASP121, LEU184, SER185, ASN186, HIS243 and 8 more

Residues it binds most

ASP 4, ASN 4, HIS 4, GLY 4, PHE 4, ARG 4, LEU 4, SER 4, GLU 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion

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