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Ligand · XLB

XLB · 3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid

XLB, 3-[(E)-2-(4-borono-2-chlorophenyl)ethenyl]benzoic acid (C15 H12 B Cl O4, 302.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
XLB
Formula
C15 H12 B Cl O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XLB in 2 structures; the first of them:

  • 5U4E · Wild-type Transthyretin in complex with 3-[(1E)-2-(2-Chloro-4-boronic… · XLB A200 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117, THR118, THR119
  • 5U4E · Wild-type transthyretin in complex with 3-[(1E)-2-(2-chloro-4-boronic… · XLB A200 · binds LYS15, LEU17, ALA108, LEU110, SER117, THR119

Residues it binds most

LEU 4, THR 4, ALA 4, LYS 4, SER 4, GLU 2, VAL 2, MET 1 (residue and the binding sites it lines).

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