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Ligand · BAK

BAK · Bis(5-amidino-2-benzimidazolyl)methane ketone

BAK, Bis(5-amidino-2-benzimidazolyl)methane ketone (C17 H16 N8 O +2, 348.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
BAK
Formula
C17 H16 N8 O +2
Class
ligand
Structures
10
PDB entries
5

Binding sites

BAK in 10 structures; the first of them:

  • 1C2D · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192, SER195 and 9 more
  • 1C2E · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 7 more
  • 1C2H · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds PHE41, CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192 and 9 more
  • 1C2I · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 1C2J · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds PHE41, CYS42, HIS57, CYS58, LYS60, ASP189, SER190, CYS191 and 11 more
  • 1C2D · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192, SER195 and 9 more
  • 1C2E · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 7 more
  • 1C2H · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds PHE41, CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192 and 9 more
  • 1C2I · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 1C2J · Recruiting zinc to mediate potent, specific inhibition of serine proteases · BAK A246 · binds PHE41, CYS42, HIS57, CYS58, LYS60, ASP189, SER190, CYS191 and 11 more

Residues it binds most

SER 10, CYS 10, GLY 10, ASP 10, GLN 10, HIS 10, TRP 10, VAL 10, LYS 8, PHE 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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