1ocn

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[[Image:1ocn.jpg|left|200px]]<br /><applet load="1ocn" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1ocn.jpg|left|200px]]
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caption="1ocn, resolution 1.31&Aring;" />
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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'''<br />
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{{Structure
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|PDB= 1ocn |SIZE=350|CAPTION= <scene name='initialview01'>1ocn</scene>, resolution 1.31&Aring;
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|SITE= <scene name='pdbsite=ACI:Ca+Binding+Site+For+Chain+A'>ACI</scene>
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=IFM:5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE'>IFM</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Cellulose_1,4-beta-cellobiosidase Cellulose 1,4-beta-cellobiosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.91 3.2.1.91]
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|GENE=
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}}
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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'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1OCN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Humicola_insolens Humicola insolens] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=BGC:'>BGC</scene>, <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=IFM:'>IFM</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Cellulose_1,4-beta-cellobiosidase Cellulose 1,4-beta-cellobiosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.91 3.2.1.91] Known structural/functional Site: <scene name='pdbsite=ACI:Ca+Binding+Site+For+Chain+A'>ACI</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OCN OCA].
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1OCN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Humicola_insolens Humicola insolens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OCN OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12744312 12744312]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/12744312 12744312]
[[Category: Cellulose 1,4-beta-cellobiosidase]]
[[Category: Cellulose 1,4-beta-cellobiosidase]]
[[Category: Humicola insolens]]
[[Category: Humicola insolens]]
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[[Category: hydrolase]]
[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:16:05 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:08:59 2008''

Revision as of 11:09, 20 March 2008


PDB ID 1ocn

Drag the structure with the mouse to rotate
, resolution 1.31Å
Sites:
Ligands: , , and
Activity: Cellulose 1,4-beta-cellobiosidase, with EC number 3.2.1.91
Coordinates: save as pdb, mmCIF, xml



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. 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

Page seeded by OCA on Thu Mar 20 13:08:59 2008

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