1vcj
From Proteopedia
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|PDB= 1vcj |SIZE=350|CAPTION= <scene name='initialview01'>1vcj</scene>, resolution 2.40Å | |PDB= 1vcj |SIZE=350|CAPTION= <scene name='initialview01'>1vcj</scene>, resolution 2.40Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=IBA:4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID'>IBA</scene> | + | |LIGAND= <scene name='pdbligand=IBA:4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC+ACID'>IBA</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] | + | |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> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1vcj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1vcj OCA], [http://www.ebi.ac.uk/pdbsum/1vcj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1vcj RCSB]</span> | ||
}} | }} | ||
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[[Category: Lommer, B S.]] | [[Category: Lommer, B S.]] | ||
[[Category: Luo, M.]] | [[Category: Luo, M.]] | ||
| - | [[Category: IBA]] | ||
[[Category: benzoic acid inhibitor]] | [[Category: benzoic acid inhibitor]] | ||
[[Category: neuraminidase]] | [[Category: neuraminidase]] | ||
| Line 35: | Line 37: | ||
[[Category: small molecule inhibitor]] | [[Category: small molecule inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:22:37 2008'' |
Revision as of 21:22, 30 March 2008
| |||||||
| , resolution 2.40Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Exo-alpha-sialidase, with EC number 3.2.1.18 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one
Overview
Owing to the highly conserved nature of its active site, Influenza B virus neuraminidase (NA) has emerged as a major target for the design of novel anti-influenza drugs. A benzene-ring scaffold has been used in place of the pyranose ring of sialic acid to develop simpler NA inhibitors that contain a minimal number of chiral centers. A new compound belonging to this series, BANA 207, showed significant improvement in inhibitory activity against Influenza B virus NA compared with its parent compound. Here, the structural analysis of a complex of BANA 207 with influenza virus B/Lee/40 NA is reported. The results indicate that BANA 207 forms an unexpected interaction with the crucial active-site residue Glu275 that stabilizes the side chain of this residue in a conformation previously unobserved in NA-inhibitor complexes. This change in the side-chain orientation of Glu275 alters the topology of the triglycerol pocket, which accommodates an additional lipophilic substitution at the benzene ring and may provide an explanation for the increased activity of BANA 207 against Influenza B virus NA.
About this Structure
1VCJ is a Single protein structure of sequence from Influenza b virus. This structure supersedes the now removed PDB entry 1UJA. Full crystallographic information is available from OCA.
Reference
A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase., Lommer BS, Ali SM, Bajpai SN, Brouillette WJ, Air GM, Luo M, Acta Crystallogr D Biol Crystallogr. 2004 Jun;60(Pt 6):1017-23. Epub 2004, May 21. PMID:15159560
Page seeded by OCA on Mon Mar 31 00:22:37 2008
