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Ligand · 9PN

9PN · (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol

9PN, (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-y…

Component
9PN
Formula
C28 H43 N4 O15 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

9PN in 2 structures; the first of them:

  • 5O9Y · Crystal structure of ScGas2 in complex with compound 11 · 9PN A601 · binds GLN62, TYR107, ASP132, SER134, GLU135, PRO136, SER139, ILE140 and 8 more
  • 5O9Y · Crystal structure of SCGAS2 in complex with compound 11 · 9PN A601 · binds GLN62, TYR107, ASP132, SER134, GLU135, PRO136, SER139, ILE140 and 8 more

Residues it binds most

TYR 2, ASN 2, GLU 2, SER 2, ARG 2, ASP 2, GLN 2, ILE 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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