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Ligand · 3BV

3BV · N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide

3BV, N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide (C40 H61 N5 O7, 724.0 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (9…

Component
3BV
Formula
C40 H61 N5 O7
Class
ligand
Structures
11
PDB entries
9

Binding sites

3BV in 11 structures; the first of them:

  • 5CZ8 · Yeast 20S proteasome beta5-L(-49)S-K33A mutant in complex with Carfilzomib · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 15 more
  • 5FGD · Yeast 20S proteasome beta5-H(-2)L-T1A double mutant in complex with Carfilzomib · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, LYS33, GLY45 and 12 more
  • 5FGE · Yeast 20S proteasome beta5-H(-2)T-T1A double mutant in complex with Carfilzomib · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 14 more
  • 5FGF · Yeast 20S proteasome beta5-H(-2)A-T1A-K81R triple mutant in complex with Carfilzomib · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, CYS31, LYS33 and 13 more
  • 5FGG · Yeast 20S proteasome beta5-L(-49S)_D17N double mutant in complex with Carfilzomib · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, LYS33, GLY45 and 13 more
  • 5FHS · Yeast 20S proteasome beta5-K33A mutant (propeptide expressed in trans) in complex with… · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, LYS33, GLY45 and 13 more
  • 5L5E · Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in… · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, LYS33, GLY45 and 12 more
  • 5L65 · Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in… · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, LYS33, GLY45 and 12 more
  • 5L5E · Yeast 20S proteasome with human BETA5I (1-138) and human BETA6 (97- 111; 118-133) in… · 3BV H301 · binds THR1, ARG19, SER20, THR21, GLN22, ALA27, LYS33, GLY45 and 12 more

Residues it binds most

SER 57, THR 57, ALA 57, GLY 57, ARG 57, LYS 56, ASP 53, HIS 25, CYS 30, GLN 22 (residue and the binding sites it lines).

Found with

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

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