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Ligand · BES

BES · 2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid

BES, 2-(3-amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid (C16 H24 N2 O4, 308.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
BES
Formula
C16 H24 N2 O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

BES in 3 structures; the first of them:

  • 5NTD · Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Bestatin · BES A605 · binds LYS289, ASP294, LYS301, MET309, ASP312, ASN369, ASP371, ALA372 and 9 more
  • 8J9D · Crystal structure of M61 peptidase (bestatin-bound) from Xanthomonas campestris · BES A702 · binds GLY72, ASN73, HIS74, ILE276, GLY277, LEU278, GLU279, LEU305 and 7 more
  • 5NTD · Structure of leucyl aminopeptidase from trypanosoma brucei in complex with bestatin · BES A605 · binds LYS289, ASP294, LYS301, MET309, ASP312, ASN369, ASP371, GLU373 and 8 more

Residues it binds most

ASP 24, LEU 28, LYS 24, THR 24, ALA 24, GLU 28, GLY 28, TYR 28, ASN 26, MET 24 (residue and the binding sites it lines).

Found with

  • BCT · Bicarbonate ion
  • MN · Manganese (II) ion
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • ZN · Zinc ion
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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