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Ligand · X2F

X2F · 2-deoxy-2-fluoro-alpha-D-xylopyranose

X2F, 2-deoxy-2-fluoro-alpha-D-xylopyranose (C5 H9 F O4, 152.1 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
X2F
Formula
C5 H9 F O4
Class
sugar
Structures
10
PDB entries
5

Binding sites

X2F in 10 structures; the first of them:

  • 1E0X · Xylanase 10A from sreptomyces lividans. xylobiosyl-enzyme intermediate at 1.65 a · X2F C1 · binds GLU44, LYS48, HIS81, TRP85, ASN127, GLU128, ASN170, GLN205 and 4 more
  • 1H4G · Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and… · X2F C1 · binds TRP19, ASN45, LEU47, TYR85, TRP87, GLU94, TYR96, ARG129 and 5 more
  • 1QH6 · Catalysis and specificity in enzymatic glycoside hydrolases: a 2,5B conformation for the… · X2F C1 · binds TRP19, ASN45, LEU47, TYR85, TRP87, GLU94, TYR96, ARG129 and 5 more
  • 2XYL · Cellulomonas fimi XYLANASE/CELLULASE complexed with 2-deoxy-2-fluoro-xylobiose · X2F B1 · binds GLU43, LYS47, HIS80, TRP84, ASN126, GLU127, ASN169, GLN203 and 4 more
  • 3ZSE · 3D Structure of a thermophilic family GH11 xylanase from Thermobifida fusca · X2F B1 · binds TRP60, ASN86, VAL88, TYR118, TRP120, GLU127, TYR129, ARG161 and 5 more
  • 1E0X · Xylanase 10A from sreptomyces lividans. xylobiosyl-enzyme intermediate at 1.65 a · X2F C1 · binds GLU44, LYS48, HIS81, TRP85, ASN127, GLU128, ASN170, GLN205 and 4 more
  • 1H4G · Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and… · X2F C1 · binds TRP19, ASN45, LEU47, TYR85, TRP87, GLU94, TYR96, ARG129 and 5 more
  • 1QH6 · Catalysis and specificity in enzymatic glycoside hydrolases: a 2,5B conformation for the… · X2F C1 · binds TRP19, ASN45, LEU47, TYR85, TRP87, GLU94, TYR96, ARG129 and 5 more
  • 2XYL · Cellulomonas fimi XYLANASE/CELLULASE complexed with 2-deoxy-2-fluoro- xylobiose · X2F B1 · binds GLU43, LYS47, HIS80, TRP84, ASN126, GLU127, ASN169, GLN203 and 4 more
  • 3ZSE · 3D structure of a thermophilic family GH11 xylanase from thermobifida fusca · X2F B1 · binds TRP60, ASN86, VAL88, TYR118, TRP120, GLU127, TYR129, ARG161 and 5 more

Residues it binds most

GLU 16, TRP 16, GLN 16, ASN 16, TYR 10, HIS 6, ARG 10, PHE 10, PRO 10, LEU 8 (residue and the binding sites it lines).

Found with

  • XYP · beta-D-xylopyranose
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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