1ocn

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Image:1ocn.gif

1ocn, resolution 1.31Å

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MUTANT D416A OF THE CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS IN COMPLEX WITH A CELLOBIO-DERIVED ISOFAGOMINE AT 1.3 ANGSTROM RESOLUTION

Overview

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.

About this Structure

1OCN is a [Single protein] structure of sequence from [Humicola insolens] with NAG, BGC, CA and IFM as [ligands]. Active as [Cellulose 1,4-beta-cellobiosidase], with EC number [3.2.1.91]. Structure known Active Site: ACI. Full crystallographic information is available from [OCA].

Reference

Distortion of a cellobio-derived isofagomine highlights the potential conformational itinerary of inverting beta-glucosidases., Varrot A, Macdonald J, Stick RV, Pell G, Gilbert HJ, Davies GJ, Chem Commun (Camb). 2003 Apr 21;(8):946-7. PMID:12744312

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