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Ligand · 0EM

0EM · N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide

0EM, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide (C32 H52 N6 O7 P +1, 663.8 g/mol), in the MolNFT structures on…

Component
0EM
Formula
C32 H52 N6 O7 P +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

0EM in 4 structures; the first of them:

  • 1ENT · X-ray analyses of aspartic proteinases. the three-dimensional structure at 2.1 ångströms… · 0EM E822 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, SER35, ILE73 and 21 more
  • 1GVW · Endothiapepsin complex with PD-130,328 · 0EM A401 · binds ILE10, ASP15, ALA16, ASP33, ASP35, GLY37, SER38, ILE77 and 20 more
  • 1ENT · X-ray analyses of aspartic proteinases. the three-dimensional structure at 2.1 ångströms… · 0EM E822 · binds ILE7, ASP12, ALA13, ASP30, ASP32, GLY34, SER35, ILE73 and 21 more
  • 1GVW · Endothiapepsin complex with pd-130,328 · 0EM A401 · binds ILE10, ASP15, ALA16, ASP33, ASP35, GLY37, SER38, ILE77 and 20 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • SUI · (3-amino-2,5-dioxo-1-pyrrolidinyl)acetic acid

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