6OCN

Montbretin A analogue M06-MbA in complex with Human pancreatic alpha-amylase

Summary for 6OCN

Entry DOI	10.2210/pdb6ocn/pdb
Descriptor	Pancreatic alpha-amylase, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide, ... (6 entities in total)
Functional Keywords	amylase, diabetes, obesity, glucosyl hydrolase, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	56846.63
Authors	Caner, S.,Brayer, G.D. (deposition date: 2019-03-25, release date: 2020-02-12, Last modification date: 2024-11-06)
Primary citation	Tysoe, C.R.,Caner, S.,Calvert, M.B.,Win-Mason, A.,Brayer, G.D.,Withers, S.G. Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic alpha-amylase. Chem Sci, 10:11073-11077, 2019 Cited by PubMed Abstract: Simplified analogues of the potent human amylase inhibitor montbretin A were synthesised and shown to bind tightly, = 60 and 70 nM, with improved specificity over medically relevant glycosidases, making them promising candidates for controlling blood glucose. Crystallographic analysis confirmed similar binding modes and identified new active site interactions. PubMed: 32206255 DOI: 10.1039/c9sc02610j PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.147 Å)

Structure validation