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Ligand · HBQ

HBQ · Isopropyl (2S)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate

HBQ, Isopropyl (2S)-2-ethyl-7-fluoro-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxylate (C14 H17 F N2 O3, 280.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5…

Component
HBQ
Formula
C14 H17 F N2 O3
Class
ligand
Structures
8
PDB entries
4

Binding sites

HBQ in 8 structures; the first of them:

  • 2OPP · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with GW420867X. · HBQ A999 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 2OPQ · Crystal Structure of L100I Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. · HBQ A999 · binds PRO95, ILE100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 2OPR · Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. · HBQ A999 · binds PRO95, LEU100, GLU101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 2OPS · Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. · HBQ A999 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, CYS188 and 8 more
  • 2OPP · Crystal structure of HIV-1 reverse transcriptase in complex with GW420867X. · HBQ A999 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 2OPQ · Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW420867X. · HBQ A999 · binds PRO95, ILE100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 2OPR · Crystal structure of K101E mutant HIV-1 reverse transcriptase in complex with GW420867X. · HBQ A999 · binds PRO95, LEU100, GLU101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 2OPS · Crystal structure of Y188C mutant HIV-1 reverse transcriptase in complex with GW420867X. · HBQ A999 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, CYS188 and 8 more

Residues it binds most

VAL 8, TYR 8, PRO 8, LEU 8, LYS 8, GLY 8, HIS 8, PHE 8, TRP 8, CYS 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • MG · Magnesium ion

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