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Ligand · 8SW

8SW · ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide

8SW, ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl…

Component
8SW
Formula
C32 H32 N6 O12
Class
ligand
Structures
2
PDB entries
2

Binding sites

8SW in 2 structures; the first of them:

  • 6GI2 · Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from… · 8SW A302 · binds ARG96, ARG99, LEU117, HIS156, ALA157, TYR158, SER183, TRP185 and 7 more
  • 6GI5 · Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa… · 8SW A302 · binds ILE94, ARG96, ARG99, ASP115, LEU117, ASN118, HIS156, SER157 and 10 more

Residues it binds most

ARG 4, PRO 4, SER 4, HIS 4, GLU 4, LEU 4, TRP 4, TYR 4, ASN 3, ASP 3 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • NO3 · Nitrate ion
  • EDO · 1,2-ethanediol

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