1inf

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[[Image:1inf.jpg|left|200px]]<br /><applet load="1inf" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1inf.jpg|left|200px]]
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caption="1inf, resolution 2.4&Aring;" />
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'''INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR'''<br />
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{{Structure
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|PDB= 1inf |SIZE=350|CAPTION= <scene name='initialview01'>1inf</scene>, resolution 2.4&Aring;
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|SITE= <scene name='pdbsite=CAT:Substrate+(Sialic+Acid)+Binding+Residues+Catalytic+Site'>CAT</scene>
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=ST4:4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID'>ST4</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18]
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|GENE=
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}}
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'''INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1INF is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus Influenza b virus] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=ST4:'>ST4</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] Known structural/functional Site: <scene name='pdbsite=CAT:Substrate+(Sialic+Acid)+Binding+Residues+Catalytic+Site'>CAT</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1INF OCA].
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1INF is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Influenza_b_virus Influenza b virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1INF OCA].
==Reference==
==Reference==
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Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction., Singh S, Jedrzejas MJ, Air GM, Luo M, Laver WG, Brouillette WJ, J Med Chem. 1995 Aug 18;38(17):3217-25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7650674 7650674]
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Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction., Singh S, Jedrzejas MJ, Air GM, Luo M, Laver WG, Brouillette WJ, J Med Chem. 1995 Aug 18;38(17):3217-25. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7650674 7650674]
[[Category: Exo-alpha-sialidase]]
[[Category: Exo-alpha-sialidase]]
[[Category: Influenza b virus]]
[[Category: Influenza b virus]]
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[[Category: sialidase]]
[[Category: sialidase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:13:36 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:52:36 2008''

Revision as of 09:52, 20 March 2008

Image:1inf.jpg


PDB ID 1inf

Drag the structure with the mouse to rotate
, resolution 2.4Å
Sites:
Ligands: , and
Activity: Exo-alpha-sialidase, with EC number 3.2.1.18
Coordinates: save as pdb, mmCIF, xml



INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR


Overview

Influenza virus sialidase is a surface enzyme that is essential for infection of the virus. The catalytic site is highly conserved among all known influenza variants, suggesting that this protein is a suitable target for drug intervention. The most potent known inhibitors are analogs of 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (Neu5Ac2en), particularly the 4-guanidino derivative (4-guanidino-Neu5Ac2en). We utilized the benzene ring of 4-(N-acetylamino)benzoic acids as a cyclic template to substitute for the dihydropyran ring of Neu5Ac2en. In this study several 3-(N-acylamino) derivatives were prepared as potential replacements for the glycerol side chain of Neu5Ac2en, and some were found to interact with the same binding subsite of sialidase. Of greater significance was the observation that the 3-guanidinobenzoic acid derivative (equivalent to the 4-guanidino grouping of 4-guanidino-Neu5Ac2en), the most potent benzoic acid inhibitor of influenza sialidase thus far identified (IC50 = 10 microM), occupied the glycerol-binding subsite on sialidase as opposed to the guanidino-binding subsite. This benzoic acid derivative thus provides a new compound that interacts in a novel manner with the catalytic site of influenza sialidase.

About this Structure

1INF is a Single protein structure of sequence from Influenza b virus. Full crystallographic information is available from OCA.

Reference

Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction., Singh S, Jedrzejas MJ, Air GM, Luo M, Laver WG, Brouillette WJ, J Med Chem. 1995 Aug 18;38(17):3217-25. PMID:7650674

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