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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, ASP84, ASN86, GLU110, GLY113, SER114, GLY115

Residues it binds most

ARG 7, 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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