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Ligand · PB7

PB7 · (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide

PB7, (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide (C38 H50 N4 O5, 642.8 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
PB7
Formula
C38 H50 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

PB7 in 2 structures; the first of them:

  • 3SKF · Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with… · PB7 A394 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 18 more
  • 3SKF · Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with… · PB7 A394 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 18 more

Residues it binds most

GLY 4, ILE 4, SER 4, THR 4, ARG 4, ASP 4, GLN 4, TYR 4, LEU 4, PHE 4 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion

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