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Ligand · BAO

BAO · Bis(5-amidino-2-benzimidazolyl)methanone

BAO, Bis(5-amidino-2-benzimidazolyl)methanone (C17 H14 N8 O, 346.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
BAO
Formula
C17 H14 N8 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

BAO in 4 structures; the first of them:

  • 1XUH · Trypsin-keto-babim-CO+2, pH 8.2 · BAO A369 · binds CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 1XUI · Trypsin-keto-babim, ZN+2-free, pH 8.2 · BAO A246 · binds CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 7 more
  • 1XUH · Trypsin-keto-babim-CO+2, pH 8.2 · BAO A369 · binds CYS42, HIS57, LYS60, ASP189, SER190, CYS191, GLN192, SER195 and 8 more
  • 1XUI · Trypsin-keto-babim, ZN+2-free, pH 8.2 · BAO A246 · binds CYS42, HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 7 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • CO · Cobalt (II) ion
  • NA · Sodium ion
  • SO4 · Sulfate ion

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