1f8b: Difference between revisions

Revision as of 16:01, 2 May 2008

NATIVE INFLUENZA VIRUS NEURAMINIDASE IN COMPLEX WITH NEU5AC2EN

OverviewOverview

2,3-didehydro-2-deoxy-N:-acetylneuraminic acid (DANA) is a transition state analog inhibitor of influenza virus neuraminidase (NA). Replacement of the hydroxyl at the C9 position in DANA and 4-amino-DANA with an amine group, with the intention of taking advantage of an increased electrostatic interaction with a conserved acidic group in the active site to improve inhibitor binding, significantly reduces the inhibitor activity of both compounds. The three-dimensional X-ray structure of the complexes of these ligands and NA was obtained to 1.4 A resolution and showed that both ligands bind isosterically to DANA. Analysis of the geometry of the ammonium at the C4 position indicates that Glu119 may be neutral when these ligands bind. A computational analysis of the binding energies indicates that the substitution is successful in increasing the energy of interaction; however, the gains that are made are not sufficient to overcome the energy that is required to desolvate that part of the ligand that comes in contact with the protein.

About this StructureAbout this Structure

1F8B is a Single protein structure of sequence from Influenza a virus. Full crystallographic information is available from OCA.

ReferenceReference

Analysis of inhibitor binding in influenza virus neuraminidase., Smith BJ, Colman PM, Von Itzstein M, Danylec B, Varghese JN, Protein Sci. 2001 Apr;10(4):689-96. PMID:11274459 Page seeded by OCA on Fri May 2 16:01:20 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:1f8b.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 1f8b |SIZE=350|CAPTION= <scene name='initialview01'>1f8b</scene>, resolution 1.8&Aring;
+The line below this paragraph, containing "STRUCTURE_1f8b", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DAN:2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC+ACID'>DAN</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY= <span class='plainlinks'>[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] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1f8b|  PDB=1f8b  |  SCENE=  }}
-|RELATEDENTRY=[[7nn9|7NN9]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1f8b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1f8b OCA], [http://www.ebi.ac.uk/pdbsum/1f8b PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1f8b RCSB]</span>
-}}
 '''NATIVE INFLUENZA VIRUS NEURAMINIDASE IN COMPLEX WITH NEU5AC2EN'''
@@ Line 31: / Line 28: @@
 [[Category: Smith, B J.]]
 [[Category: Varghese, J N.]]
-[[Category: dana]]
+[[Category: Dana]]
-[[Category: glycosylated protein]]
+[[Category: Glycosylated protein]]
-[[Category: hydrolase]]
+[[Category: Hydrolase]]
-[[Category: influenza protein]]
+[[Category: Influenza protein]]
-[[Category: neuraminidase]]
+[[Category: Neuraminidase]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 16:01:20 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:17:54 2008''