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Ligand · 4DX

4DX · (1S,2S)-2-methylcyclohexanol

4DX, (1S,2S)-2-methylcyclohexanol (C7 H14 O, 114.2 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 it binds most and the ligands found with…

Component
4DX
Formula
C7 H14 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

4DX in 4 structures; the first of them:

  • 3KF0 · HIV Protease with fragment 4D9 bound · 4DX A201 · binds LYS14, ILE15, GLY16, GLY17, GLN18, LEU63, ILE64, GLU65
  • 3KFN · HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking · 4DX A201 · binds LYS14, ILE15, GLY16, GLY17, GLN18, LEU63, ILE64, GLU65
  • 3KF0 · HIV protease with fragment 4D9 bound · 4DX A201 · binds LYS14, ILE15, GLY16, GLY17, GLN18, LEU63, ILE64, GLU65
  • 3KFN · HIV protease (pr) with inhibitor tl-3 and fragment hit 4D9 by soaking · 4DX A201 · binds LYS14, ILE15, GLY16, GLY17, GLN18, LEU63, ILE64, GLU65

Residues it binds most

GLY 4, ILE 4, GLN 4, GLU 4, LEU 4, LYS 4 (residue and the binding sites it lines).

Found with

  • 3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
  • K · Potassium ion
  • BME · Beta-mercaptoethanol
  • DMS · Dimethyl sulfoxide

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