3RX5

structure of AaCel9A in complex with cellotriose-like isofagomine

Summary for 3RX5

Entry DOI	10.2210/pdb3rx5/pdb
Related	3GZK 3H2W 3H3K 3RX7 3RX8
Related PRD ID	PRD_900005
Descriptor	Cellulase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, ... (6 entities in total)
Functional Keywords	gh9 family fold, endoglucanase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Alicyclobacillus acidocaldarius subsp. acidocaldarius
Total number of polymer chains	1
Total formula weight	59950.23
Authors	Morera, S.,Vigouroux, A. (deposition date: 2011-05-10, release date: 2011-08-24, Last modification date: 2023-09-13)
Primary citation	Morera, S.,Vigouroux, A.,Stubbs, K.A. A fortuitous binding of inhibitors-derived isofagomine for inverting GH9 beta-glycosidase Org.Biomol.Chem., 9:5945-5947, 2011 Cited by PubMed Abstract: Using structural insight, the binding mode of isofagomine-derived inhibitors with family GH9 glycosidases is achieved via the study of Alicyclobacillus acidocaldarius (AaCel9A) endoglucanase. In contrast to what was observed in the first report using these compounds with inverting glycosidases from family GH6, these inhibitors do not adopt a distorted conformation in the active site. PubMed: 21785782 DOI: 10.1039/c1ob05766a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.99 Å)

Structure validation