1naa

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[[Image:1naa.gif|left|200px]]<br /><applet load="1naa" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1naa.gif|left|200px]]
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caption="1naa, resolution 1.80&Aring;" />
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'''Cellobiose Dehydrogenase Flavoprotein Fragment in Complex with Cellobionolactam'''<br />
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{{Structure
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|PDB= 1naa |SIZE=350|CAPTION= <scene name='initialview01'>1naa</scene>, resolution 1.80&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=6FA:6-HYDROXY-FLAVIN-ADENINE+DINUCLEOTIDE'>6FA</scene> and <scene name='pdbligand=ABL:6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDINE-2,3,4-TRIOL'>ABL</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Cellobiose_dehydrogenase_(acceptor) Cellobiose dehydrogenase (acceptor)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.99.18 1.1.99.18]
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|GENE=
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}}
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'''Cellobiose Dehydrogenase Flavoprotein Fragment in Complex with Cellobionolactam'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1NAA is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Phanerochaete_chrysosporium Phanerochaete chrysosporium] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=6FA:'>6FA</scene> and <scene name='pdbligand=ABL:'>ABL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Cellobiose_dehydrogenase_(acceptor) Cellobiose dehydrogenase (acceptor)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.99.18 1.1.99.18] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NAA OCA].
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1NAA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Phanerochaete_chrysosporium Phanerochaete chrysosporium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NAA OCA].
==Reference==
==Reference==
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Mechanism of the reductive half-reaction in cellobiose dehydrogenase., Hallberg BM, Henriksson G, Pettersson G, Vasella A, Divne C, J Biol Chem. 2003 Feb 28;278(9):7160-6. Epub 2002 Dec 19. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12493734 12493734]
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Mechanism of the reductive half-reaction in cellobiose dehydrogenase., Hallberg BM, Henriksson G, Pettersson G, Vasella A, Divne C, J Biol Chem. 2003 Feb 28;278(9):7160-6. Epub 2002 Dec 19. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12493734 12493734]
[[Category: Cellobiose dehydrogenase (acceptor)]]
[[Category: Cellobiose dehydrogenase (acceptor)]]
[[Category: Phanerochaete chrysosporium]]
[[Category: Phanerochaete chrysosporium]]
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[[Category: rossman fold]]
[[Category: rossman fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:03:54 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:54:11 2008''

Revision as of 10:54, 20 March 2008

Image:1naa.gif


PDB ID 1naa

Drag the structure with the mouse to rotate
, resolution 1.80Å
Ligands: , and
Activity: Cellobiose dehydrogenase (acceptor), with EC number 1.1.99.18
Coordinates: save as pdb, mmCIF, xml



Cellobiose Dehydrogenase Flavoprotein Fragment in Complex with Cellobionolactam


Overview

The extracellular flavocytochrome cellobiose dehydrogenase (CDH; EC ) participates in lignocellulose degradation by white-rot fungi with a proposed role in the early events of wood degradation. The complete hemoflavoenzyme consists of a catalytically active dehydrogenase fragment (DH(cdh)) connected to a b-type cytochrome domain via a linker peptide. In the reductive half-reaction, DH(cdh) catalyzes the oxidation of cellobiose to yield cellobiono-1,5-lactone. The active site of DH(cdh) is structurally similar to that of glucose oxidase and cholesterol oxidase, with a conserved histidine residue positioned at the re face of the flavin ring close to the N5 atom. The mechanisms of oxidation in glucose oxidase and cholesterol oxidase are still poorly understood, partly because of lack of experimental structure data or difficulties in interpreting existing data for enzyme-ligand complexes. Here we report the crystal structure of the Phanerochaete chrysosporium DH(cdh) with a bound inhibitor, cellobiono-1,5-lactam, at 1.8-A resolution. The distance between the lactam C1 and the flavin N5 is only 2.9 A, implying that in an approximately planar transition state, the maximum distance for the axial 1-hydrogen to travel for covalent addition to N5 is 0.8-0.9 A. The lactam O1 interacts intimately with the side chains of His-689 and Asn-732. Our data lend substantial structural support to a reaction mechanism where His-689 acts as a general base by abstracting the O1 hydroxyl proton in concert with transfer of the C1 hydrogen as hydride to the re face of the flavin N5.

About this Structure

1NAA is a Single protein structure of sequence from Phanerochaete chrysosporium. Full crystallographic information is available from OCA.

Reference

Mechanism of the reductive half-reaction in cellobiose dehydrogenase., Hallberg BM, Henriksson G, Pettersson G, Vasella A, Divne C, J Biol Chem. 2003 Feb 28;278(9):7160-6. Epub 2002 Dec 19. PMID:12493734

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