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Ligand · FKD

FKD · 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid

FKD, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid (C9 H15 F O9, 286.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
FKD
Formula
C9 H15 F O9
Class
ligand
Structures
7
PDB entries
4

Binding sites

FKD in 7 structures; the first of them:

  • 2XZK · The aspergillus fumigatus sialidase is a kdnase: structural and mechanistic insights · FKD A500 · binds ARG59, ILE60, ARG78, ASP84, ASN124, GLN148, TRP202, GLU249 and 3 more
  • 7P1E · Structure of KDNase from Aspergillus Terrerus in complex with… · FKD A501 · binds ARG56, ILE57, ARG75, ASP81, GLN144, TRP198, GLU245, ARG261 and 2 more
  • 7P1R · Structure of Trichophyton Rubrum KDNase in complex with 2,3-difluoro-KDN · FKD A504 · binds ARG62, ILE63, ARG81, ASP87, ASN127, GLN150, ARG173, TRP204 and 4 more
  • 2AGS · Trypanosoma rangeli sialidase in complex with 2-keto-3-deoxy-D… · FKD A700 · binds ARG36, ILE37, ARG54, ASP60, MET96, ASP97, TRP121, THR122 and 7 more
  • 2XZK · The aspergillus fumigatus sialidase is a kdnase: structural and mechanistic insights · FKD A500 · binds ARG59, ILE60, ARG78, ASP84, ASN124, GLN148, TRP202, GLU249 and 3 more
  • 7P1E · Structure of kdnase from aspergillus terrerus in complex with 2,3… · FKD A501 · binds ARG56, ILE57, ARG75, ASP81, GLN144, TRP198, GLU245, ARG261 and 2 more
  • 7P1R · Structure of trichophyton rubrum kdnase in complex with 2,3-difluoro- kdn · FKD A504 · binds ARG62, ILE63, ARG81, ASP87, GLN150, TRP204, GLU251, ARG267 and 2 more

Residues it binds most

ARG 15, ASP 15, GLN 15, GLU 15, ILE 15, TRP 15, TYR 15, ASN 8, SER 2, MET 1 (residue and the binding sites it lines).

Found with

  • 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
  • NA · Sodium ion
  • CL · Chloride ion
  • GOL · Glycerol
  • CA · Calcium ion
  • NO3 · Nitrate ion
  • PO4 · Phosphate ion
  • SNN · L-3-aminosuccinimide
  • SO4 · Sulfate ion

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