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Ligand · BAH

BAH · Bis(5-amidino-2-benzimidazolyl)methane ketone hydrate

BAH, Bis(5-amidino-2-benzimidazolyl)methane ketone hydrate (C17 H18 N8 O2 +2, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
BAH
Formula
C17 H18 N8 O2 +2
Class
ligand
Structures
6
PDB entries
3

Binding sites

BAH in 6 structures; the first of them:

  • 1C1W · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAH H410 · binds LEU41, CYS42, HIS57, TRP60D, LYS60F, ASP195, ALA196, CYS197 and 9 more
  • 1C2F · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAH A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, GLY193 and 9 more
  • 1C2G · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAH A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, GLY193 and 9 more
  • 1C1W · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAH H410 · binds LEU41, CYS42, HIS57, TRP60D, LYS60F, ASP195, ALA196, CYS197 and 9 more
  • 1C2F · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAH A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, GLY193 and 9 more
  • 1C2G · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAH A246 · binds PHE41, CYS42, HIS57, ASP189, SER190, CYS191, GLN192, GLY193 and 9 more

Residues it binds most

GLY 6, SER 6, CYS 6, TRP 6, ASP 6, HIS 6, VAL 6, GLN 4, PHE 4, ALA 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CA · Calcium ion
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • NA · Sodium ion

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