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Ligand · 6N5

6N5 · ~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide

6N5, ~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide (C36 H43…

Component
6N5
Formula
C36 H43 N3 O6
Class
ligand
Structures
8
PDB entries
4

Binding sites

6N5 in 8 structures; the first of them:

  • 5L52 · Yeast 20S proteasome in complex with epoxyketone inhibitor 14 · 6N5 K301 · binds THR1, ARG19, ALA20, THR21, ALA22, VAL31, LYS33, MET45 and 9 more
  • 5L5J · Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in… · 6N5 H301 · binds THR1, ARG19, SER20, THR21, GLN22, CYS31, LYS33, HIS35 and 13 more
  • 5L61 · Yeast 20S proteasome with human beta5c (1-138) and human beta6 (99-132) in complex with… · 6N5 K301 · binds THR1, ARG19, ALA20, THR21, ALA22, VAL31, LYS33, MET45 and 8 more
  • 5L68 · Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in… · 6N5 H301 · binds THR1, ARG19, SER20, THR21, GLN22, CYS31, LYS33, GLY45 and 9 more
  • 5L52 · Yeast 20S proteasome in complex with epoxyketone inhibitor 14 · 6N5 K301 · binds THR1, ARG19, ALA20, THR21, ALA22, VAL31, LYS33, MET45 and 9 more
  • 5L5J · Yeast 20S proteasome with human BETA5I (1-138) and human BETA6 (97- 111; 118-133) in… · 6N5 H301 · binds THR1, ARG19, SER20, THR21, GLN22, CYS31, LYS33, GLY45 and 10 more
  • 5L61 · Yeast 20S proteasome with human BETA5C (1-138) and human BETA6 (99- 132) in complex with… · 6N5 K301 · binds THR1, ARG19, ALA20, THR21, ALA22, VAL31, LYS33, MET45 and 8 more
  • 5L68 · Yeast 20S proteasome with mouse BETA5I (1-138) and mouse BETA6 (97- 111; 118-133) in… · 6N5 H301 · binds THR1, ARG19, SER20, THR21, GLN22, CYS31, LYS33, GLY45 and 9 more

Residues it binds most

THR 28, ALA 28, SER 28, GLY 28, ARG 28, TYR 16, LYS 28, VAL 16, ASP 24, MET 16 (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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