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Ligand · 39Q

39Q · N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide

39Q, N-(morpholin-4-ylacetyl)-D-alanyl-N-[(2S,4R)-5-hydroxy-4-methyl-3-oxo-1-phenylpentan-2-yl]-O-methyl-L-tyrosinamide (C31 H42 N4 O7, 582.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
39Q
Formula
C31 H42 N4 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

39Q in 2 structures; the first of them:

  • 4QLV · yCP in complex with tripeptidic epoxyketone inhibitor 17 · 39Q K303 · binds THR1, ARG19, ALA20, THR21, ALA27, SER28, VAL31, LYS33 and 13 more
  • 4QLV · Ycp in complex with tripeptidic epoxyketone inhibitor 17 · 39Q K303 · binds THR1, ARG19, ALA20, THR21, ALA27, SER28, VAL31, LYS33 and 13 more

Residues it binds most

ALA 4, SER 4, ARG 4, GLY 4, THR 4, ASP 4, TYR 4, GLU 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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