1o6i

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[[Image:1o6i.jpg|left|200px]]<br /><applet load="1o6i" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1o6i.jpg|left|200px]]
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caption="1o6i, resolution 1.70&Aring;" />
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'''CHITINASE B FROM SERRATIA MARCESCENS COMPLEXED WITH THE CATALYTIC INTERMEDIATE MIMIC CYCLIC DIPEPTIDE CI4.'''<br />
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{{Structure
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|PDB= 1o6i |SIZE=350|CAPTION= <scene name='initialview01'>1o6i</scene>, resolution 1.70&Aring;
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|SITE= <scene name='pdbsite=ARB:ARG+Binding+Site+For+Chain+A'>ARB</scene>
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=DPR:D-PROLINE'>DPR</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Hydrolase Hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14. 3.2.1.14.]
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|GENE=
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}}
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'''CHITINASE B FROM SERRATIA MARCESCENS COMPLEXED WITH THE CATALYTIC INTERMEDIATE MIMIC CYCLIC DIPEPTIDE CI4.'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1O6I is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=DPR:'>DPR</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Hydrolase Hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.14. 3.2.1.14.] Known structural/functional Site: <scene name='pdbsite=ARB:ARG+Binding+Site+For+Chain+A'>ARB</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1O6I OCA].
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1O6I is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1O6I OCA].
==Reference==
==Reference==
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The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate., Houston DR, Eggleston I, Synstad B, Eijsink VG, van Aalten DM, Biochem J. 2002 Nov 15;368(Pt 1):23-7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12323074 12323074]
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The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate., Houston DR, Eggleston I, Synstad B, Eijsink VG, van Aalten DM, Biochem J. 2002 Nov 15;368(Pt 1):23-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12323074 12323074]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Serratia marcescens]]
[[Category: Serratia marcescens]]
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[[Category: inhibitor]]
[[Category: inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:14:01 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:06:27 2008''

Revision as of 11:06, 20 March 2008


PDB ID 1o6i

Drag the structure with the mouse to rotate
, resolution 1.70Å
Sites:
Ligands: , and
Activity: Hydrolase, with EC number 3.2.1.14.
Coordinates: save as pdb, mmCIF, xml



CHITINASE B FROM SERRATIA MARCESCENS COMPLEXED WITH THE CATALYTIC INTERMEDIATE MIMIC CYCLIC DIPEPTIDE CI4.


Overview

Family 18 chitinases are attractive targets for the development of new inhibitors with chemotherapeutic potential against fungi, insects and protozoan/nematodal parasites. Although several inhibitors have been identified, these are based on complex chemistry, which hampers iterative structure-based optimization. Here we report the details of chitinase inhibition by the natural product peptide CI-4 [ cyclo -(L-Arg-D-Pro)], which possesses activity against the human pathogenic fungus Candida albicans, and describe a 1.7 A (0.17 nm) crystal structure of CI-4 in complex with the enzyme. The structure reveals that the cyclic dipeptide inhibits chitinases by structurally mimicking a reaction intermediate, and could, on the basis of its accessible chemistry, be a candidate for further optimization.

About this Structure

1O6I is a Single protein structure of sequence from Serratia marcescens. Full crystallographic information is available from OCA.

Reference

The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate., Houston DR, Eggleston I, Synstad B, Eijsink VG, van Aalten DM, Biochem J. 2002 Nov 15;368(Pt 1):23-7. PMID:12323074

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