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Ligand · YKN

YKN · 2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole

YKN, 2-[difluoro-[(4-methyl-pyrimidinyl)-thio]methyl]-benzoxazole (C13 H9 F2 N3 O S, 293.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
YKN
Formula
C13 H9 F2 N3 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

YKN in 4 structures; the first of them:

  • 2YKM · Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a… · YKN A1559 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, ILE180, TYR181 and 8 more
  • 2YKN · Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a… · YKN A1559 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, ILE180, TYR181 and 8 more
  • 2YKM · Crystal structure of HIV-1 reverse transcriptase (rt) in complex with a… · YKN A1559 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, ILE180, TYR181 and 8 more
  • 2YKN · Crystal structure of HIV-1 reverse transcriptase (rt) in complex with a… · YKN A1559 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, ILE180, TYR181 and 8 more

Residues it binds most

TYR 4, VAL 4, LEU 4, LYS 4, PRO 4, GLY 4, HIS 4, ILE 4, TRP 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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