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Ligand · GTW

GTW · ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide

GTW, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide (C32 H49 N5…

Component
GTW
Formula
C32 H49 N5 O5 S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

GTW in 6 structures; the first of them:

  • 6HUU · Yeast 20S proteasome with human beta2c (S171G) in complex with 29 · GTW H301 · binds THR1, ALA20, THR21, GLU22, CYS31, SER32, LYS33, GLY45 and 9 more
  • 6HVU · Yeast 20S proteasome with human beta2i (1-53) in complex with 29 · GTW H301 · binds THR1, ALA20, THR21, ASN22, ALA27, CYS31, GLU32, LYS33 and 13 more
  • 6HW7 · Yeast 20S proteasome in complex with 29 · GTW H301 · binds THR1, SER20, THR21, GLN22, ALA27, CYS31, ALA32, LYS33 and 10 more
  • 6HUU · Yeast 20S proteasome with human BETA2C (S171G) in complex with 29 · GTW H301 · binds THR1, ALA20, THR21, GLU22, CYS31, SER32, LYS33, GLY45 and 9 more
  • 6HVU · Yeast 20S proteasome with human BETA2I (1-53) in complex with 29 · GTW H301 · binds THR1, ALA20, THR21, ASN22, ALA27, CYS31, GLU32, LYS33 and 13 more
  • 6HW7 · Yeast 20S proteasome in complex with 29 · GTW H301 · binds THR1, SER20, THR21, GLN22, ALA27, CYS31, ALA32, LYS33 and 10 more

Residues it binds most

ALA 24, GLY 24, THR 24, SER 24, LYS 24, ASP 24, CYS 12, GLU 20, GLN 16, VAL 16 (residue and the binding sites it lines).

Found with

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

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