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Ligand · WAS

WAS · 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate

WAS, 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate (C18 H31 N7 O9, 489.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
WAS
Formula
C18 H31 N7 O9
Class
ligand
Structures
3
PDB entries
2

Binding sites

WAS in 3 structures; the first of them:

  • 7KBR · Co-crystal structure of alpha glucosidase with compound 10 · WAS A1121 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, CYS524, TRP525 and 17 more
  • 8EUR · Co-crystal structure of Chaetomium glucosidase with compound 26 · WAS A901 · binds PRO412, PHE417, ARG419, PHE421, TRP423, ASP424, GLU460, VAL471 and 10 more
  • 7KBR · Co-crystal structure of alpha glucosidase with compound 10 · WAS A1121 · binds PHE307, TRP423, ASP451, ILE452, ILE488, TRP523, CYS524, TRP525 and 14 more

Residues it binds most

TRP 6, PHE 6, ASP 6, PRO 6, ARG 6, HIS 4, ILE 4, GLY 6, CYS 4, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol

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