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TitlePrecision Activity-Based alpha-Amylase Probes for Dissection and Annotation of Linear and Branched-Chain Starch-Degrading Enzymes.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 64, Page e202415219-e202415219, Year 2025
Publish dateJul 4, 2024 (structure data deposition date)
AuthorsPickles, I.B. / Chen, Y. / Moroz, O. / Brown, H.A. / de Boer, C. / Armstrong, Z. / McGregor, N.G.S. / Artola, M. / Codee, J.D.C. / Koropatkin, N.M. ...Pickles, I.B. / Chen, Y. / Moroz, O. / Brown, H.A. / de Boer, C. / Armstrong, Z. / McGregor, N.G.S. / Artola, M. / Codee, J.D.C. / Koropatkin, N.M. / Overkleeft, H.S. / Davies, G.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:39601378
MethodsX-ray diffraction
Resolution1.4 - 2.65 Å
Structure data

PDB-9fyz:
Crystal structure of SusA amylase from Bacteroides thetaiotaomicron covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-9fz0:
Crystal structure of SusG from Bacteroides thetaiotaomicron covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-9fz2:
Crystal structure of Amylase 5 (Amy5) from Ruminococcus bromii covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-9fz3:
Crystal structure of K38 amylase from Bacillus sp. strain KSM-K38 covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

Chemicals

ChemComp-PBW:
(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol

ChemComp-OC9:
OCTAN-1-OL

ChemComp-IMD:
IMIDAZOLE

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

PDB-1ilg:
Crystal Structure of Apo Human Pregnane X Receptor Ligand Binding Domain

ChemComp-ACT:
ACETATE ION

PDB-1ihi:
Crystal Structure of Human Type III 3-alpha-Hydroxysteroid Dehydrogenase/Bile Acid Binding Protein (AKR1C2) Complexed with NADP+ and Ursodeoxycholate

ChemComp-NA:
Unknown entry

Source
  • bacteroides thetaiotaomicron (bacteria)
  • ruminococcus bromii (bacteria)
  • bacillus sp. ksm-k38 (bacteria)
KeywordsHYDROLASE / GLYCOSIDE HYDROLASE / AMYLASE

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