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Ligand · 8UX

8UX · (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

8UX, (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid (C13 H20 N4 O6, 328.3 g/mol), in the MolNFT structures on GenesisL1…

Component
8UX
Formula
C13 H20 N4 O6
Class
ligand
Structures
3
PDB entries
3

Binding sites

8UX in 3 structures; the first of them:

  • 5YH8 · The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and… · 8UX A602 · binds TYR27, MET31, TRP103, ARG140, ASP224, ARG225, ARG393, ASN403 and 5 more
  • 5YHE · The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and… · 8UX A604 · binds TYR27, MET31, TRP103, ARG140, ASP224, ARG225, ARG393, TRP406 and 4 more
  • 5YHG · The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and zinc · 8UX A608 · binds TYR27, MET31, TRP103, ARG140, ASP224, ARG225, ARG393, ASN403 and 5 more

Residues it binds most

TYR 4, ARG 4, TRP 4, ASN 4, ASP 4, MET 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • CO · Cobalt (II) ion
  • NI · Nickel (II) ion
  • ZN · Zinc ion

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