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Ligand · K99

K99 · (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

K99, (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid (C9 H14 F2 O8, 288.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
K99
Formula
C9 H14 F2 O8
Class
ligand
Structures
4
PDB entries
2

Binding sites

K99 in 4 structures; the first of them:

  • 2XZK · The aspergillus fumigatus sialidase is a kdnase: structural and mechanistic insights · K99 A501 · binds THR320, SER321, ARG322, ARG323, ASP376, PHE378, GLY381, THR382 and 1 more
  • 7P1E · Structure of KDNase from Aspergillus Terrerus in complex with… · K99 A502 · binds LEU46, VAL50, ARG76, ASP84, ASN86, GLU110, GLY113, SER114 and 1 more
  • 2XZK · The aspergillus fumigatus sialidase is a kdnase: structural and mechanistic insights · K99 A501 · binds THR320, SER321, ARG322, ARG323, ASP376, PHE378, GLY381, THR382 and 1 more
  • 7P1E · Structure of kdnase from aspergillus terrerus in complex with 2,3… · K99 A502 · binds LEU46, VAL50, ARG76, ASP84, ASN86, GLU110, GLY113, SER114 and 1 more

Residues it binds most

ARG 8, ASP 12, SER 10, ASN 8, GLY 6, PHE 8, THR 4, TYR 6, ALA 2, LYS 6 (residue and the binding sites it lines).

Found with

  • FKD · 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
  • CL · Chloride ion
  • GOL · Glycerol
  • CA · Calcium ion
  • NA · Sodium ion
  • NO3 · Nitrate ion
  • SNN · L-3-aminosuccinimide

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