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Ligand · U8B

U8B · (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

U8B, (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid…

Component
U8B
Formula
C22 H29 N5 O9 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

U8B in 2 structures; the first of them:

  • 7NC6 · Glutathione-S-transferase GliG in complex with cyclo[L-Phe-L-Ser]-bis-glutathione-adduct · U8B A301 · binds VAL18, THR23, SER24, HIS26, ASN27, VAL50, MET63, VAL64 and 11 more
  • 7NC6 · Glutathione-S-transferase glig in complex with CYCLO[L-phe-L-ser]-bis- glutathione-adduct · U8B A301 · binds THR23, HIS26, ASN27, MET63, VAL64, PRO65, GLU82, SER83 and 5 more

Residues it binds most

VAL 12, LEU 8, SER 12, ALA 10, ASN 12, GLU 12, LYS 12, MET 12, PRO 12, THR 11 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • EDO · 1,2-ethanediol

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