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Ligand · B1B

B1B · (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide

B1B, (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide (C14 H20 Cl N3 O3, 313.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
B1B
Formula
C14 H20 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

B1B in 2 structures; the first of them:

  • 5Y1K · Crystal structure of Plasmodium falciparum aminopeptidase N in complex with… · B1B A1111 · binds GLN317, GLU319, ALA320, VAL459, GLY460, ALA461, MET462, GLU463 and 8 more
  • 5Y1K · Crystal structure of plasmodium falciparum aminopeptidase N in complex with… · B1B A1111 · binds GLN317, GLU319, ALA320, VAL459, GLY460, ALA461, GLU463, HIS496 and 7 more

Residues it binds most

GLU 2, ALA 2, HIS 2, TYR 2, MET 2, GLN 2, GLY 2, VAL 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • GOL · Glycerol

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