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Ligand · BZB

BZB · Benzo[b]thiophene-2-boronic acid

BZB, Benzo[b]thiophene-2-boronic acid (C8 H7 B O2 S, 178.0 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
BZB
Formula
C8 H7 B O2 S
Class
ligand
Structures
14
PDB entries
7

Binding sites

BZB in 14 structures; the first of them:

  • 1C3B · Ampc beta-lactamase from E. COLI complexed with inhibitor, BENZO(B)THIOPHENE-2-boronic… · BZB A362 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR221 and 2 more
  • 3FKV · AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb) · BZB A362 · binds GLY63, SER64, ARG67, LEU119, GLN120, TYR150, ASN152, TYR221 and 3 more
  • 3IXB · X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase… · BZB B362 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR221 and 3 more
  • 3IXG · X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and… · BZB B362 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR221 and 4 more
  • 4BD0 · X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in… · BZB A300 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more
  • 4BD1 · Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in… · BZB A300 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, ASN170 and 4 more
  • 4C3Q · Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in… · BZB A300 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more
  • 1C3B · Ampc beta-lactamase from E. COLI complexed with inhibitor, BENZO(B) thiophene-2-boronic… · BZB A362 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR221 and 2 more
  • 3FKV · Ampc K67R mutant complexed with BENZO(B)THIOPHENE-2-boronic acid (bzb) · BZB A362 · binds GLY63, SER64, ARG67, LEU119, GLN120, TYR150, ASN152, TYR221 and 3 more
  • 3IXB · X-ray crystal structure of the extended-spectrum ampc E219K mutant beta-lactamase… · BZB B362 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR221 and 3 more
  • 3IXG · X-ray crystal structure of the extended-spectrum ampc T70I mutant beta-lactamase with and… · BZB B362 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, TYR221 and 4 more
  • 4BD0 · X-ray structure of a perdeuterated toho-1 R274N R276N double mutant beta-lactamase in… · BZB A300 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more
  • 4BD1 · Neutron structure of a perdeuterated toho-1 R274N R276N double mutant beta-lactamase in… · BZB A300 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, ASN170 and 4 more
  • 4C3Q · Neutron structure of a perdeuterated toho-1 R274N R276N double mutant beta-lactamase in… · BZB A300 · binds CYS69, SER70, LYS73, ASN104, TYR105, SER130, ASN132, GLU166 and 6 more

Residues it binds most

GLY 20, TYR 20, ASN 20, LYS 20, SER 20, ALA 14, GLN 14, LEU 14, THR 8, CYS 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • K · Potassium ion
  • SO4 · Sulfate ion

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