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Ligand · VGO

VGO · (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid

VGO, (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid (C6 H11 N O5, 177.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
VGO
Formula
C6 H11 N O5
Class
ligand
Structures
3
PDB entries
3

Binding sites

VGO in 3 structures; the first of them:

  • 8CQI · Human heparanase in complex with inhibitor R3794 · VGO A605 · binds ASN224, GLU225, TYR298, GLU343, TYR348, GLY349, GLY350, GLN383 and 4 more
  • 8OGX · Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 · VGO A501 · binds GLU45, GLY79, ASN80, ASP105, GLY107, ASN172, GLU173, TYR243 and 6 more
  • 8OHQ · Crystal structure of human heparanase in complex with competitive inhibitor derrived from… · VGO AAA609 · binds ASN224, GLU225, TYR298, GLU343, TYR348, GLY349, GLY350, GLN383 and 4 more

Residues it binds most

GLY 3, TYR 3, GLU 3, ASN 3, ASP 3, GLN 3, THR 2, HIS 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • LYY · 1,5-anhydro-D-arabinitol
  • FUC · alpha-L-fucopyranose
  • PO4 · Phosphate ion

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