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Ligand · 5P7

5P7 · (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol

5P7, (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol (C14 H17 N3 O3, 275.3 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…

Component
5P7
Formula
C14 H17 N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

5P7 in 4 structures; the first of them:

  • 5AQT · Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site… · 5P7 A1381 · binds TYR15, GLY202, GLY230, GLU231, GLU268, LYS271, ARG272, SER275 and 4 more
  • 5AQW · Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site… · 5P7 A1385 · binds THR14, TYR15, GLY201, GLY202, GLY230, GLU231, GLU268, LYS271 and 6 more
  • 5AQT · Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site… · 5P7 A1381 · binds TYR15, GLY202, GLY230, GLU231, GLU268, LYS271, ARG272, SER275 and 4 more
  • 5AQW · Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site… · 5P7 A1385 · binds THR14, TYR15, GLY201, GLY202, GLY230, GLU231, GLU268, LYS271 and 6 more

Residues it binds most

GLY 4, ARG 4, GLU 4, SER 4, ILE 4, LYS 4, TYR 4, THR 2 (residue and the binding sites it lines).

Found with

  • DTV · (2S,3S)-1,4-dimercaptobutane-2,3-diol
  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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