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Ligand · 9SJ

9SJ · 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SJ, 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid (C11 H18 F N O7, 295.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
9SJ
Formula
C11 H18 F N O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

9SJ in 2 structures; the first of them:

  • 5W2U · Influenza virus neuraminidase N9 in complex with 7-deoxygenated… · 9SJ A515 · binds ARG118, GLU119, ASP151, ARG152, TRP179, SER180, ILE223, ARG225 and 9 more
  • 5W2U · Influenza virus neuraminidase N9 in complex with 7-deoxygenated 2,3… · 9SJ A515 · binds ARG118, GLU119, ASP151, ARG152, TRP179, ILE223, ARG225, ALA247 and 6 more

Residues it binds most

ARG 2, GLU 2, ALA 2, ASN 2, ASP 2, ILE 2, TRP 2, TYR 2, GLY 1, SER 1 (residue and the binding sites it lines).

Found with

  • 9S4 · (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
  • 9SM · (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl) propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
  • CA · Calcium ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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