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Ligand · 3IR

3IR · (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl) cyclopropane-1-carboxamide

3IR, (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl) cyclopropane-1-carboxamide (C13 H12 N2 O S, 244.3 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…

Component
3IR
Formula
C13 H12 N2 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

3IR in 4 structures; the first of them:

  • 7OZ5 · Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex… · 3IR F901 · binds TYR183, MET184, ASP185, ASP186, MET230, GLY231, DT705, DG822
  • 7OZW · Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with… · 3IR A601 · binds MET184, ASP185, ASP186, LEU228, MET230, GLY231, DA0, DT1 and 2 more
  • 7OZ5 · Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex… · 3IR F901 · binds TYR183, MET184, ASP185, ASP186, MET230, GLY231, DT705, DG822
  • 7OZW · Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with… · 3IR A601 · binds MET184, ASP185, ASP186, LEU228, MET230, DT1, OMC2, DG32

Residues it binds most

ASP 4, MET 4, DG 4, DT 4, GLY 3, LEU 2, OMC 2, TYR 2, DA 1 (residue and the binding sites it lines).

Found with

  • CD · Cadmium ion
  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose

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