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Ligand · 002

002 · N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-isoleucyl-L-leucine

002, N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-isoleucyl-L-leucine (C23 H35 N3 O6, 449.5 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, the…

Component
002
Formula
C23 H35 N3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

002 in 2 structures; the first of them:

  • 2FV9 · Crystal structure of TACE in complex with JMV 390-1 · 002 B2 · binds MET345, GLY346, THR347, LEU348, GLY349, LEU350, ASN389, TYR390 and 14 more
  • 2FV9 · Crystal structure of tace in complex with jmv 390-1 · 002 B2 · binds MET345, GLY346, THR347, LEU348, GLY349, LEU350, ASN389, TYR390 and 14 more

Residues it binds most

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

Found with

  • INN · N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide
  • ZN · Zinc ion

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