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Ligand · 3XO

3XO · 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside

3XO, 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside (C21 H26 Cl N3 O8, 483.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
3XO
Formula
C21 H26 Cl N3 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

3XO in 2 structures; the first of them:

  • 4X5R · Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside… · 3XO A301 · binds PHE1, ILE13, ASN46, ASP47, TYR48, GLU50, ILE52, ASP54 and 7 more
  • 4X5R · Crystal structure of fimh in complex with a squaryl-phenyl alpha-D- mannopyranoside… · 3XO A301 · binds PHE1, ILE13, ASN46, ASP47, TYR48, GLU50, ILE52, ASP54 and 7 more

Residues it binds most

ASN 6, ASP 6, ILE 6, PHE 6, TYR 6, GLN 6, GLU 4, ARG 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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