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Ligand · VXU

VXU · 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine

VXU, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine (C10 H13 N O2, 179.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
VXU
Formula
C10 H13 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VXU in 2 structures; the first of them:

  • 4AB8 · Fragments bound to bovine trypsin for the SAMPL challenge · VXU A1253 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more
  • 4AB8 · Fragments bound to bovine trypsin for the sampl challenge · VXU A1253 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more

Residues it binds most

SER 2, GLY 2, CYS 2, ASP 2, GLN 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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