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Ligand · ACI

ACI · 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol

ACI, 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol (C7 H13 N O4, 175.2 g/mol), in the MolNFT structures on GenesisL1: bound in 14 records (14 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
ACI
Formula
C7 H13 N O4
Class
ligand
Structures
14
PDB entries
14

Binding sites

ACI in 14 structures; the first of them:

  • 1E3Z · Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at… · ACI A801 · binds LEU47, SER48, LYS68
  • 1UA7 · Crystal Structure Analysis of Alpha-Amylase from Bacillus Subtilis complexed with Acarbose · ACI A501 · binds PHE105, GLN126, LEU142, GLY143
  • 1UH3 · Thermoactinomyces vulgaris R-47 alpha-amylase/acarbose complex · ACI A703 · binds TYR223, VAL264, HIS267, PHE310, LEU316, ARG354, ASP356, GLU396 and 3 more
  • 1UKQ · Crystal structure of cyclodextrin glucanotransferase complexed with a… · ACI A702 · binds TYR100, HIS140, LEU197, ARG227, ASP229, ALA230, GLU257, HIS327 and 2 more
  • 1UKS · Crystal structure of F183L/F259L mutant cyclodextrin glucanotransferase complexed with a… · ACI A702 · binds HIS98, TYR100, TRP101, PRO143, TYR195, ASP196, LEU197, ASP371 and 1 more
  • 1UKT · Crystal structure of Y100L mutant cyclodextrin glucanotransferase compexed with an… · ACI A701 · binds HIS98, LEU100, TRP101, LEU197, HIS327, ASP328, ASP371, ARG375
  • 1V3L · Crystal structure of F283L mutant cyclodextrin glycosyltransferase complexed with a… · ACI A702 · binds TYR100, HIS140, LEU194, TYR195, LEU197, ASP229, GLU257, HIS327 and 2 more
  • 1V3M · Crystal structure of F283Y mutant cyclodextrin glycosyltransferase complexed with a… · ACI A702 · binds TYR100, HIS140, TYR195, LEU197, ASP229, GLU257, HIS327, ASP328 and 1 more
  • 1WPC · Crystal structure of maltohexaose-producing amylase complexed with pseudo-maltononaose · ACI A601 · binds LYS72, GLY110, ALA111, TRP140
  • 3BC9 · Alpha-amylase B in complex with acarbose · ACI A803 · binds MET176, MET235, ASP286, TYR314, MET316, GLY317
  • 3BMW · Cyclodextrin glycosyl transferase from Thermoanerobacterium thermosulfurigenes EM1 mutant… · ACI A694 · binds TYR101, HIS141, LEU195, LEU198, ARG228, ASP230, GLU258, HIS328 and 2 more
  • 3OLD · Crystal structure of alpha-amylase in complex with acarviostatin I03 · ACI A503 · binds TRP58, TYR62, VAL98, HIS101, LEU162, LEU165, ARG195, ASP197 and 4 more
  • 3OLE · Structures of human pancreatic alpha-amylase in complex with acarviostatin II03 · ACI A501 · binds ASN105, ALA106, ASP147, THR163, GLY164
  • 4E2O · Crystal structure of alpha-amylase from Geobacillus thermoleovorans, GTA, complexed with… · ACI A502 · binds TYR147, TYR182, GLY183
  • 1E3Z · Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at… · ACI A801 · binds LEU47, SER48, LYS68

Residues it binds most

ASP 24, HIS 18, LEU 22, TYR 23, ARG 19, GLU 16, TRP 13, ALA 10, MET 7, VAL 7 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GLC · alpha-D-glucopyranose
  • GLD · 4,6-dideoxy-alpha-D-xylo-hexopyranose
  • BGC · beta-D-glucopyranose
  • G6D · alpha-D-quinovopyranose
  • GAL · beta-D-galactopyranose
  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • PCA · Pyroglutamic acid
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • MPD · (4S)-2-methyl-2,4-pentanediol

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