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Ligand · BXU

BXU · [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid

BXU, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid (C11 H15 B F N O3 S, 271.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
BXU
Formula
C11 H15 B F N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BXU in 2 structures; the first of them:

  • 6JN5 · Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 · BXU A301 · binds CYS69, SER70, LYS73, TRP105, TYR129, SER130, ASN132, GLU166 and 6 more
  • 6JN5 · Serine beta-lactamase kpc-2 in complex with dual MBL/SBL inhibitor MS23 · BXU A301 · binds CYS69, SER70, LYS73, TRP105, TYR129, SER130, ASN132, GLU166 and 6 more

Residues it binds most

ASN 8, SER 8, CYS 8, LEU 8, GLY 6, GLU 8, LYS 8, THR 8, TRP 8, TYR 4 (residue and the binding sites it lines).

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