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Ligand · BAB

BAB · Bis(5-amidino-benzimidazolyl)methane

BAB, Bis(5-amidino-benzimidazolyl)methane (C17 H19 N8 +3, 335.4 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
BAB
Formula
C17 H19 N8 +3
Class
ligand
Structures
9
PDB entries
9

Binding sites

BAB in 9 structures; the first of them:

  • 1C1S · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAB A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 6 more
  • 1C1T · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAB A246 · binds ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1C1V · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAB H410 · binds LEU41, CYS42, HIS57, TRP60D, LYS60F, ASP195, ALA196, CYS197 and 9 more
  • 1G9A · Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor… · BAB A1292 · binds ASP68, GLN258, ARG369, TYR372, PHE373, SER374, ASP375, SER376 and 9 more
  • 1G9B · Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor… · BAB A1292 · binds ASP68, GLN258, ARG369, TYR372, PHE373, SER374, ASP375, SER376 and 9 more
  • 1G9C · Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor… · BAB A1292 · binds ASP68, VAL69, GLN258, THR260, ARG369, TYR372, PHE373, SER374 and 10 more
  • 1G9D · Crystal structure of clostridium botulinum neurotoxin B complexed with an inhibitor… · BAB A1292 · binds ASP68, GLN258, ARG369, TYR372, PHE373, SER374, ASP375, SER376 and 9 more
  • 1XUG · Trypsin-babim-ZN+2, pH 8.2 · BAB A246 · binds TYR39, PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192 and 10 more
  • 1XUK · Trypsin-babim-sulfate, pH 5.9 · BAB A246 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 5 more

Residues it binds most

SER 11, ASP 13, TYR 12, GLY 6, PHE 9, LEU 10, THR 9, GLN 8, CYS 5, GLU 9 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CA · Calcium ion
  • NA · Sodium ion
  • SO4 · Sulfate ion
  • MG · Magnesium ion
  • PO4 · Phosphate ion

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