Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques

Biochemistry. 2000 Apr 25;39(16):4778-91. doi: 10.1021/bi9921182.

Abstract

We report a multifaceted study of the active site region of human pancreatic alpha-amylase. Through a series of novel kinetic analyses using malto-oligosaccharides and malto-oligosaccharyl fluorides, an overall cleavage action pattern for this enzyme has been developed. The preferred binding/cleavage mode occurs when a maltose residue serves as the leaving group (aglycone sites +1 and +2) and there are three sugars in the glycon (-1, -2, -3) sites. Overall it appears that five binding subsites span the active site, although an additional glycon subsite appears to be a significant factor in the binding of longer substrates. Kinetic parameters for the cleavage of substrates modified at the 2 and 4' ' positions also highlight the importance of these hydroxyl groups for catalysis and identify the rate-determining step. Further kinetic and structural studies pinpoint Asp197 as being the likely nucleophile in catalysis, with substitution of this residue leading to an approximately 10(6)-fold drop in catalytic activity. Structural studies show that the original pseudo-tetrasaccharide structure of acarbose is modified upon binding, presumably through a series of hydrolysis and transglycosylation reactions. The end result is a pseudo-pentasaccharide moiety that spans the active site region with its N-linked "glycosidic" bond positioned at the normal site of cleavage. Interestingly, the side chains of Glu233 and Asp300, along with a water molecule, are aligned about the inhibitor N-linked glycosidic bond in a manner suggesting that these might act individually or collectively in the role of acid/base catalyst in the reaction mechanism. Indeed, kinetic analyses show that substitution of the side chains of either Glu233 or Asp300 leads to as much as a approximately 10(3)-fold decrease in catalytic activity. Structural analyses of the Asp300Asn variant of human pancreatic alpha-amylase and its complex with acarbose clearly demonstrate the importance of Asp300 to the mode of inhibitor binding.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acarbose / chemistry
  • Acarbose / metabolism
  • Amino Acid Substitution / genetics
  • Animals
  • Binding Sites
  • Carbohydrate Sequence
  • Catalysis
  • Crystallography, X-Ray
  • Fluorides / metabolism
  • Glycosylation
  • Humans
  • Hydrolysis
  • Kinetics
  • Maltose / metabolism
  • Models, Chemical
  • Models, Molecular
  • Molecular Sequence Data
  • Mutagenesis / genetics*
  • Oligosaccharides / chemistry
  • Oligosaccharides / metabolism
  • Pancreas / enzymology*
  • Protein Conformation
  • Structure-Activity Relationship
  • Swine
  • Thermodynamics
  • alpha-Amylases / antagonists & inhibitors
  • alpha-Amylases / chemistry*
  • alpha-Amylases / genetics
  • alpha-Amylases / metabolism*

Substances

  • Oligosaccharides
  • Maltose
  • alpha-Amylases
  • Fluorides
  • Acarbose

Associated data

  • PDB/1CPU
  • PDB/2CPU
  • PDB/3CPU