2qiq
From Proteopedia
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|PDB= 2qiq |SIZE=350|CAPTION= <scene name='initialview01'>2qiq</scene>, resolution 1.900Å | |PDB= 2qiq |SIZE=350|CAPTION= <scene name='initialview01'>2qiq</scene>, resolution 1.900Å | ||
|SITE= <scene name='pdbsite=AC1:Cyv+Binding+Site+For+Residue+A+302'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Cyv+Binding+Site+For+Residue+A+302'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=CYV:'>CYV</scene> | + | |LIGAND= <scene name='pdbligand=CYV:ETHYL+(4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE'>CYV</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= rep ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227859 SARS coronavirus]) | |GENE= rep ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227859 SARS coronavirus]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2alv|2ALV]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qiq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qiq OCA], [http://www.ebi.ac.uk/pdbsum/2qiq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qiq RCSB]</span> | ||
}} | }} | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Grum-Tokars, V.]] | [[Category: Grum-Tokars, V.]] | ||
| - | [[Category: CYV]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
[[Category: viral protein]] | [[Category: viral protein]] | ||
| - | ''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 04:49:39 2008'' |
Revision as of 01:49, 31 March 2008
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| , resolution 1.900Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| Gene: | rep (SARS coronavirus) | ||||||
| Related: | 2ALV
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
Overview
Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P(4)-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme.
About this Structure
2QIQ is a Single protein structure of sequence from Sars coronavirus. Full crystallographic information is available from OCA.
Reference
Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors., Ghosh AK, Xi K, Grum-Tokars V, Xu X, Ratia K, Fu W, Houser KV, Baker SC, Johnson ME, Mesecar AD, Bioorg Med Chem Lett. 2007 Nov 1;17(21):5876-80. Epub 2007 Aug 19. PMID:17855091
Page seeded by OCA on Mon Mar 31 04:49:39 2008
