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Ligand · 4QS

4QS · [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

4QS, [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate (C30 H42 N2 O9, 574.7 g/mol), in the MolNFT structures…

Component
4QS
Formula
C30 H42 N2 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

4QS in 2 structures; the first of them:

  • 4AS9 · The structure of modified benzoqui ansamycins bound to yeast N- terminal Hsp90 · 4QS A1215 · binds ASN37, ALA38, ASP40, ALA41, LYS44, ASP79, ILE82, MET84 and 11 more
  • 4AS9 · The structure of modified benzoquinone ansamycins bound to yeast N- terminal HSP90 · 4QS A1215 · binds ASN37, ALA38, ASP40, ALA41, LYS44, ASP79, ILE82, MET84 and 11 more

Residues it binds most

ALA 2, ASN 2, ASP 2, GLY 2, LEU 2, LYS 2, GLU 2, ILE 2, MET 2, PHE 2 (residue and the binding sites it lines).

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