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Ligand · VK8

VK8 · 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

VK8, 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (C25 H20 N4 O3, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
VK8
Formula
C25 H20 N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

VK8 in 4 structures; the first of them:

  • 7OMD · Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant… · VK8 A401 · binds ASP120, ASP158, GLU161, ALA162, ILE163, LEU165, ILE166, PHE180 and 8 more
  • 7OME · Azacoelenterazine-bound Renilla-type engineered ancestral luciferase variant (AncFT7) · VK8 A401 · binds ASP118, TRP119, GLU142, SER143, VAL144, TRP154, ILE157, ASP160 and 15 more
  • 7OMD · Crystal structure of azacoelenterazine-bound renilla reniformis luciferase variant… · VK8 A401 · binds ASP120, ASP158, GLU161, ALA162, ILE163, ILE166, PHE180, PHE181 and 7 more
  • 7OME · Azacoelenterazine-bound renilla-type engineered ancestral luciferase variant (ANCFT7) · VK8 A401 · binds ASP118, TRP119, GLU142, SER143, VAL144, TRP154, ASP160, ILE161 and 10 more

Residues it binds most

PHE 10, ILE 10, ASP 8, VAL 8, TRP 5, GLU 8, HIS 8, LEU 6, PRO 8, SER 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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