3SUU

Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with Gal-PUGNAc

Summary for 3SUU

• Entry DOI: 10.2210/pdb3suu/pdb
• Related: 3SUR 3SUS 3SUT 3SUV 3SUW
• Descriptor: Beta-hexosaminidase, SULFATE ION, [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, ... (4 entities in total)
• Functional Keywords: structural genomics, riken structural genomics/proteomics initiative, rsgi, tim barrel, carbohydrate/sugar binding, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Paenibacillus
• Total number of polymer chains: 1
• Total formula weight: 58015.50

Authors

Sumida, T.,Yokoyama, S.,RIKEN Structural Genomics/Proteomics Initiative (RSGI) (deposition date: 2011-07-11, release date: 2012-06-06, Last modification date: 2024-10-09)

Primary citation

Sumida, T.,Stubbs, K.A.,Ito, M.,Yokoyama, S.
Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10:2607-2612, 2012

PubMed Abstract: One useful methodology that has been used to give insight into how chemically synthesized inhibitors bind to enzymes and the reasons underlying their potency is crystallographic studies of inhibitor-enzyme complexes. Presented here is the X-ray structural analysis of a representative family 20 exo-β-N-acetylhexosaminidase in complex with various known classes of inhibitor of these types of enzymes, which highlights how different inhibitor classes can inhibit the same enzyme. This study will aid in the future development of inhibitors of not only exo-β-N-acetylhexosaminidases but also other types of glycoside hydrolases.

PubMed: 22367352
DOI: 10.1039/c2ob06636j

Experimental method

X-RAY DIFFRACTION (1.6 Å)