GL1X · GenesisL1 explorer

Ligand · GQQ

GQQ · ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide

GQQ, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide (C29 H44 N6 O5 S, 588.8 g/mol)…

Component
GQQ
Formula
C29 H44 N6 O5 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

GQQ in 6 structures; the first of them:

  • 6HTP · Yeast 20S proteasome with human beta2c (S171G) in complex with 7 · GQQ H301 · binds THR1, ALA20, THR21, GLU22, ALA27, CYS31, SER32, LYS33 and 10 more
  • 6HV7 · Yeast 20S proteasome with human beta2i (1-53) in complex with 7 · GQQ H301 · binds THR1, ALA20, THR21, ASN22, ALA27, CYS31, GLU32, HIS35 and 11 more
  • 6HW0 · Yeast 20S proteasome in complex with 7 · GQQ H301 · binds THR1, SER20, THR21, GLN22, ALA27, CYS31, GLY45, GLY47 and 9 more
  • 6HTP · Yeast 20S proteasome with human BETA2C (S171G) in complex with 7 · GQQ H301 · binds THR1, ALA20, THR21, GLU22, ALA27, CYS31, SER32, LYS33 and 10 more
  • 6HV7 · Yeast 20S proteasome with human BETA2I (1-53) in complex with 7 · GQQ H301 · binds THR1, ALA20, THR21, ASN22, ALA27, CYS31, GLU32, HIS35 and 11 more
  • 6HW0 · Yeast 20S proteasome in complex with 7 · GQQ H301 · binds THR1, SER20, THR21, GLN22, ALA27, CYS31, GLY45, GLY47 and 9 more

Residues it binds most

ALA 24, GLY 24, THR 24, SER 24, ASP 24, CYS 12, VAL 16, LYS 18, GLU 16, GLN 16 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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