1a4q: Difference between revisions
New page: left|200px<br /> <applet load="1a4q" size="450" color="white" frame="true" align="right" spinBox="true" caption="1a4q, resolution 1.9Å" /> '''INFLUENZA VIRUS B/BE... |
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==About this Structure== | ==About this Structure== | ||
1A4Q 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 DPC as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1A4Q OCA]]. | 1A4Q 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 DPC 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]]. Structure known Active Sites: CHA, CHB, CLA, CLB, LIA and LIB. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1A4Q OCA]]. | ||
==Reference== | ==Reference== | ||
Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B., Taylor NR, Cleasby A, Singh O, Skarzynski T, Wonacott AJ, Smith PW, Sollis SL, Howes PD, Cherry PC, Bethell R, Colman P, Varghese J, J Med Chem. 1998 Mar 12;41(6):798-807. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9526556 9526556] | Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B., Taylor NR, Cleasby A, Singh O, Skarzynski T, Wonacott AJ, Smith PW, Sollis SL, Howes PD, Cherry PC, Bethell R, Colman P, Varghese J, J Med Chem. 1998 Mar 12;41(6):798-807. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9526556 9526556] | ||
[[Category: Exo-alpha-sialidase]] | |||
[[Category: Influenza b virus]] | [[Category: Influenza b virus]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 11:45:03 2007'' | ||
Revision as of 12:40, 30 October 2007
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INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE
OverviewOverview
The first paper in this series (see previous article) described, structure-activity studies of carboxamide analogues of zanamivir binding, to influenza virus sialidase types A and B and showed that inhibitory, activity of these compounds was much greater against influenza A enzyme., To understand the large differences in affinities, a number of, protein-ligand complexes have been investigated using crystallography and, molecular dynamics. The crystallographic studies show that the binding of, ligands containing tertiary amide groups is accompanied by the formation, of an intramolecular planar salt bridge between two amino acid residues in, the active site of the enzyme. It is proposed that the unexpected strong, binding of these inhibitors is a result of the burial of hydrophobic, surface ... [(full description)]
About this StructureAbout this Structure
1A4Q is a [Single protein] structure of sequence from [Influenza b virus] with NAG, CA and DPC as [ligands]. Active as [Exo-alpha-sialidase], with EC number [3.2.1.18]. Structure known Active Sites: CHA, CHB, CLA, CLB, LIA and LIB. Full crystallographic information is available from [OCA].
ReferenceReference
Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B., Taylor NR, Cleasby A, Singh O, Skarzynski T, Wonacott AJ, Smith PW, Sollis SL, Howes PD, Cherry PC, Bethell R, Colman P, Varghese J, J Med Chem. 1998 Mar 12;41(6):798-807. PMID:9526556
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