1OCN

Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a cellobio-derived isofagomine at 1.3 angstrom resolution

Summary for 1OCN

Entry DOI	10.2210/pdb1ocn/pdb
Related	1BVW 1GZ1 1HGW 1HGY 1OC5 1OC6 1OC7 1OCB 1OCJ 1OCN 1QJW 1QK0 1QK2 2BVW
Descriptor	CELLOBIOHYDROLASE II, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ... (6 entities in total)
Functional Keywords	hydrolase, cellulose degradation, cellobiohydrolase, cellulase, glycoside hydrolase family 6
Biological source	HUMICOLA INSOLENS
Total number of polymer chains	1
Total formula weight	40926.52
Authors	Varrot, A.,Macdonald, J.,Stick, R.V.,Pell, G.,Gilbert, H.J.,Davies, G.J. (deposition date: 2003-02-09, release date: 2003-05-22, Last modification date: 2024-10-23)
Primary citation	Varrot, A.,Macdonald, J.,Stick, R.V.,Pell, G.,Gilbert, H.J.,Davies, G.J. Distortion of a Cellobio-Derived Isofagomine Highlights the Potential Conformational Itinerary of Inverting Beta-Glucosidases Chem.Commun.(Camb.), 21:946-, 2003 Cited by PubMed Abstract: A cellobio-derived isofagomine glycosidase inhibitor (Ki approximately 400 nM) displays an unusual distorted 2,5B (boat) conformation upon binding to cellobiohydrolase Cel6A from Humicola insolens, highlighting the different conformational itineraries used by various glycosidases, with consequences for the design of therapeutic agents. PubMed: 12744312 DOI: 10.1039/B301592K PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.31 Å)

Structure validation