1inx
From Proteopedia
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| - | [[Image:1inx.gif|left|200px]] | + | [[Image:1inx.gif|left|200px]] |
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| - | '''A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES''' | + | {{Structure |
| + | |PDB= 1inx |SIZE=350|CAPTION= <scene name='initialview01'>1inx</scene>, resolution 2.4Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=EQP:(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID'>EQP</scene> | ||
| + | |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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1INX is a [ | + | 1INX is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus Influenza a virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1INX OCA]. |
==Reference== | ==Reference== | ||
| - | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies., White CL, Janakiraman MN, Laver WG, Philippon C, Vasella A, Air GM, Luo M, J Mol Biol. 1995 Feb 3;245(5):623-34. PMID:[http:// | + | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies., White CL, Janakiraman MN, Laver WG, Philippon C, Vasella A, Air GM, Luo M, J Mol Biol. 1995 Feb 3;245(5):623-34. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7844831 7844831] |
[[Category: Exo-alpha-sialidase]] | [[Category: Exo-alpha-sialidase]] | ||
[[Category: Influenza a virus]] | [[Category: Influenza a virus]] | ||
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[[Category: hydrolase (o-glycosyl)]] | [[Category: hydrolase (o-glycosyl)]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:52:41 2008'' |
Revision as of 09:52, 20 March 2008
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| , resolution 2.4Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , and | ||||||
| Activity: | Exo-alpha-sialidase, with EC number 3.2.1.18 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Overview
A phosphonate analog of N-acetyl neuraminic acid (PANA) has been designed as a potential neuraminidase (NA) inhibitor and synthesized as both the alpha (ePANA) and beta (aPANA) anomers. Inhibition of type A (N2) and type B NA activity by ePANA was approximately a 100-fold better than by sialic acid, but inhibition of type A (N9) NA was only ten-fold better than by sialic acid. The aPANA compound was not a strong inhibitor for any of the NA strains tested. The crystal structures at 2.4 A resolution of ePANA complexed to type A (N2) NA, type A (N9) NA and type B NA and aPANA complexed to type A (N2) NA showed that neither of the PANA compounds distorted the NA active site upon binding. No significant differences in the NA-ePANA complex structures were found to explain the anomalous inhibition of N9 neuraminidase by ePANA. We put forward the hypothesis that an increase in the ePANA inhibition compared to that caused by sialic acid is due to (1) a stronger electrostatic interaction between the inhibitor phosphonyl group and the active site arginine pocket and (2) a lower distortion energy requirement for binding of ePANA.
About this Structure
1INX is a Single protein structure of sequence from Influenza a virus. Full crystallographic information is available from OCA.
Reference
A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies., White CL, Janakiraman MN, Laver WG, Philippon C, Vasella A, Air GM, Luo M, J Mol Biol. 1995 Feb 3;245(5):623-34. PMID:7844831
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