AI Article Synopsis
- 1-Deoxynojirimycin is a strong inhibitor of glucoamylase but weakly inhibits cyclodextrin glucanotransferase (CGTase), prompting an exploration of the underlying structural differences.
- The crystal structure of CGTase was resolved to 2.0 A, revealing two CGTase molecules each binding two deoxynojirimycin molecules at different sites, one near the active center and the other at the maltose-binding site.
- Analysis shows that the weak inhibition of CGTase by 1-deoxynojirimycin may stem from the absence of essential stacking interactions with the aromatic side chain of Tyr-100, compared to the stronger
Article Abstract
1-Deoxynojirimycin, a pseudo-monosaccharide, is a strong inhibitor of glucoamylase but a relatively weak inhibitor of cyclodextrin glucanotransferase (CGTase). To elucidate this difference, the crystal structure of the CGTase from alkalophilic Bacillus sp. 1011 complexed with 1-deoxynojirimycin was determined at 2.0 A resolution with the crystallographic R value of 0.154 (R(free) = 0.214). The asymmetric unit of the crystal contains two CGTase molecules and each molecule binds two 1-deoxynojirimycins. One 1-deoxynojirimycin molecule is bound to the active center by hydrogen bonds with catalytic residues and water molecules, but its binding mode differs from that expected in the substrate binding. Another 1-deoxynojirimycin found at the maltose-binding site 1 is bound to Asn-667 with a hydrogen bond and by stacking interaction with the indole moiety of Trp-662 of molecule 1 or Trp-616 of molecule 2. Comparison of this structure with that of the acarbose-CGTase complex suggested that the lack of stacking interaction with the aromatic side chain of Tyr-100 is responsible for the weak inhibition by 1-deoxynojirimycin of the enzymatic action of CGTase.
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