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Ligand · 9XS

9XS · (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

9XS, (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid (C22 H27 N3 O8 S, 493.5…

Component
9XS
Formula
C22 H27 N3 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9XS in 2 structures; the first of them:

  • 7O0O · Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem · 9XS A304 · binds TYR11, TRP17, HIS84, HIS86, ASP88, HIS89, PHE124, ILE128 and 5 more
  • 7O0O · Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem · 9XS A304 · binds TYR11, TRP17, HIS84, HIS86, ASP88, HIS89, PHE124, ILE128 and 5 more

Residues it binds most

HIS 2, SER 2, ASP 2, ILE 2, PHE 2, PRO 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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