Brand  (β version)

PDB ID: 4GQQ

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Ligands
Code Name Style Show Link
0XR Ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate PoSSuM
CA Calcium ion PoSSuM
CL Chloride ion PoSSuM
Non-standard Residues
Code Name Show
PCA Pyroglutamic acid
Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 4GQQ   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Human pancreatic alpha-amylase with bound ethyl caffeate
Release Data : 2012-10-24
Compound :
mol_id molecule chains synonym
1 Pancreatic alpha-amylase A PA, 1,4-alpha-D-glucan glucanohydrolase
ec: 3.2.1.1
fragment: UNP residues 16-511
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Komagataella pastoris  (taxid:4922)
gene: AMY2A
expression_system_common: Pichia pastoris
Authors : Williams, L.K., Brayer, G.D.
Keywords : glycosyl hydrolase, noncompetitive inhibition, diabetes, obesity, digestion, glycosidase, enzyme inhibition, flavonol, myricetin, drug design, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.3500 Å )
Citation :

Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.

Williams, L.K.,Li, C.,Withers, S.G.  et al.
(2012)  J.Med.Chem.  55 : 10177 - 10186

PubMed: 23050660
DOI: 10.1021/jm301273u

Reaction

Chain : A
UniProt : P04746 (AMYP_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Endohydrolysis of (1->4)-alpha-D-glucosidic linkages in polysaccharides containing three or more (1->4)-alpha-linked D- glucose units. 3.2.1.1 PubMed:10091666, PubMed:10769135, PubMed:11772019, PubMed:11914097
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