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Ligand · VJQ

VJQ · 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one

VJQ, 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one (C17 H16 N2 O4, 312.3 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…

Component
VJQ
Formula
C17 H16 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

VJQ in 2 structures; the first of them:

  • 7OLM · Dioxygenase AsqJ mutant (V72I) in complex with 2b-O-O and Tris · VJQ A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 8 more
  • 7OLM · Dioxygenase asqj mutant (V72I) in complex with 2B-O-O and tris · VJQ A402 · binds ASN70, ILE72, LEU73, LEU79, MET118, MET122, GLN131, PRO132 and 5 more

Residues it binds most

MET 2, LEU 2, ASN 2, HIS 2, ASP 2, GLN 2, ILE 2, PHE 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion
  • BR · Bromide ion
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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