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Ligand · SBQ

SBQ · Methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S}, 6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate

SBQ, Methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S}, 6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate (C20 H21 Cl O8, 424.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
SBQ
Formula
C20 H21 Cl O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

SBQ in 2 structures; the first of them:

  • 7AYN · Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with… · SBQ A301 · binds PHE1, ILE13, ASN46, ASP47, TYR48, ILE52, ASP54, GLN133 and 10 more
  • 7AYN · Crystal structure of the lectin domain of the fimh variant ARG98ALA, in complex with… · SBQ A301 · binds PHE1, ILE13, ASN46, ASP47, TYR48, ILE52, ASP54, GLN133 and 7 more

Residues it binds most

ASP 8, ASN 8, ILE 8, PHE 8, TYR 8, GLN 8, GLY 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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