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Ligand · DAF

DAF · 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose

DAF, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose (C13 H17 N O8, 315.3 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (7 PDB entries). Every binding…

Component
DAF
Formula
C13 H17 N O8
Class
sugar
Structures
14
PDB entries
7

Binding sites

DAF in 14 structures; the first of them:

  • 1BG9 · Barley alpha-amylase with substrate analogue acarbose · DAF B2 · binds TRP9, TYR51, VAL89, HIS92, PHE143, ARG177, ASP179, PHE180 and 6 more
  • 1G94 · Crystal structure analysis of the ternary complex between psychrophilic alpha amylase… · DAF B2 · binds TRP47, GLN51, ALA92, VAL140, GLY141, LEU142
  • 1G9H · Ternary complex between psychrophilic alpha-amylase, comii (pseudo tri-saccharide from… · DAF B2 · binds TRP46, TYR50, LEU86, HIS89, TYR127, LEU139, LEU142, ARG172 and 8 more
  • 1PPI · The active center of a mammalian alpha-amylase. the structure of the complex of a… · DAF C2 · binds TRP58, TYR62, VAL98, HIS101, TYR151, LEU162, LEU165, ARG195 and 9 more
  • 1RP9 · Crystal structure of barley alpha-amylase isozyme 1 (amy1) inactive mutant d180a in… · DAF B3 · binds VAL230, ASP234, ALA239, TRP278, TRP279
  • 1RPK · Crystal structure of barley alpha-amylase isozyme 1 (amy1) in complex with acarbose · DAF B2 · binds TRP10, TYR52, VAL90, HIS93, PHE144, ARG178, ASP180, PHE181 and 7 more
  • 2GJP · Structure of Bacillus halmapalus alpha-amylase, crystallized with the substrate analogue… · DAF B3 · binds TRP15, TYR58, HIS107, LEU201, MET202, ARG234, ASP236, ALA237 and 8 more
  • 1BG9 · Barley alpha-amylase with substrate analogue acarbose · DAF B2 · binds TRP9, TYR51, VAL89, HIS92, PHE143, ARG177, ASP179, PHE180 and 6 more
  • 1G94 · Crystal structure analysis of the ternary complex between psychrophilic alpha amylase… · DAF B2 · binds TRP47, GLN51, ALA92, VAL140, GLY141, LEU142
  • 1G9H · Ternary complex between psychrophilic alpha-amylase, comii (pseudo tri-saccharide from… · DAF B2 · binds TRP46, TYR50, LEU86, HIS89, TYR127, LEU139, LEU142, ARG172 and 8 more
  • 1PPI · The active center of a mammalian alpha-amylase. the structure of the complex of a… · DAF C2 · binds TRP58, TYR62, VAL98, HIS101, TYR151, LEU162, LEU165, ARG195 and 9 more
  • 1RP9 · Crystal structure of barley alpha-amylase isozyme 1 (AMY1) inactive mutant D180A in… · DAF B3 · binds VAL230, ASP234, ALA239, TRP278, TRP279
  • 1RPK · Crystal structure of barley alpha-amylase isozyme 1 (AMY1) in complex with acarbose · DAF B2 · binds TRP10, TYR52, VAL90, HIS93, PHE144, ARG178, ASP180, PHE181 and 7 more
  • 2GJP · Structure of bacillus halmapalus alpha-amylase, crystallized with the substrate analogue… · DAF B3 · binds TRP15, TYR58, HIS107, LEU201, MET202, ARG234, ASP236, ALA237 and 8 more

Residues it binds most

HIS 16, ASP 20, TRP 24, TYR 20, ALA 22, LEU 10, GLY 10, ARG 16, VAL 18, LYS 16 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • BGC · beta-D-glucopyranose
  • GLC · alpha-D-glucopyranose
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • NA · Sodium ion
  • AF1 · 4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-D-glucopyranose

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