1inf
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:1inf.jpg|left|200px]]<br /><applet load="1inf" size=" | + | [[Image:1inf.jpg|left|200px]]<br /><applet load="1inf" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1inf, resolution 2.4Å" /> | caption="1inf, resolution 2.4Å" /> | ||
'''INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR'''<br /> | '''INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR'''<br /> | ||
| Line 7: | Line 7: | ||
==About this Structure== | ==About this Structure== | ||
| - | 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 NAG, CA and ST4 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:// | + | 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]. |
==Reference== | ==Reference== | ||
| Line 24: | Line 24: | ||
[[Category: sialidase]] | [[Category: sialidase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 09:50:38 2008'' |
Revision as of 07:50, 3 February 2008
|
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 with , and as ligands. Active as Exo-alpha-sialidase, with EC number 3.2.1.18 Known structural/functional Site: . 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
Page seeded by OCA on Sun Feb 3 09:50:38 2008
Categories: Exo-alpha-sialidase | Influenza b virus | Single protein | Jedrzejas, M.J. | Luo, M. | CA | NAG | ST4 | Hydrolase | Neuraminidase | O-glycosyl | Sialidase
