2a5k: Difference between revisions
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[[Image:2a5k.gif|left|200px]] | [[Image:2a5k.gif|left|200px]] | ||
'''Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121''' | {{Structure | ||
|PDB= 2a5k |SIZE=350|CAPTION= <scene name='initialview01'>2a5k</scene>, resolution 2.30Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=AZP:(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE'>AZP</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2A5K is a [ | 2A5K is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_sars_coronavirus Human sars coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A5K OCA]. | ||
==Reference== | ==Reference== | ||
Crystal structures of the main peptidase from the SARS coronavirus inhibited by a substrate-like aza-peptide epoxide., Lee TW, Cherney MM, Huitema C, Liu J, James KE, Powers JC, Eltis LD, James MN, J Mol Biol. 2005 Nov 11;353(5):1137-51. Epub 2005 Sep 27. PMID:[http:// | Crystal structures of the main peptidase from the SARS coronavirus inhibited by a substrate-like aza-peptide epoxide., Lee TW, Cherney MM, Huitema C, Liu J, James KE, Powers JC, Eltis LD, James MN, J Mol Biol. 2005 Nov 11;353(5):1137-51. Epub 2005 Sep 27. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16219322 16219322] | ||
[[Category: Human sars coronavirus]] | [[Category: Human sars coronavirus]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: long loop]] | [[Category: long loop]] | ||
[[Category: n-finger]] | [[Category: n-finger]] | ||
[[Category: specificity | [[Category: specificity pocket]] | ||
[[Category: substrate-like inhibitor]] | [[Category: substrate-like inhibitor]] | ||
''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 15:45:38 2008'' | ||
Revision as of 16:45, 20 March 2008
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| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121
OverviewOverview
The main peptidase (M(pro)) from the coronavirus (CoV) causing severe acute respiratory syndrome (SARS) is one of the most attractive molecular targets for the development of anti-SARS agents. We report the irreversible inhibition of SARS-CoV M(pro) by an aza-peptide epoxide (APE; k(inact)/K(i) = 1900(+/-400) M(-1) s(-1)). The crystal structures of the M(pro):APE complex in the space groups C2 and P2(1)2(1)2(1) revealed the formation of a covalent bond between the catalytic Cys145 S(gamma) atom of the peptidase and the epoxide C3 atom of the inhibitor, substantiating the mode of action of this class of cysteine-peptidase inhibitors. The aza-peptide component of APE binds in the substrate-binding regions of M(pro) in a substrate-like manner, with excellent structural and chemical complementarity. In addition, the crystal structure of unbound M(pro) in the space group C2 revealed that the "N-fingers" (N-terminal residues 1 to 7) of both protomers of M(pro) are well defined and the substrate-binding regions of both protomers are in the catalytically competent conformation at the crystallization pH of 6.5, contrary to the previously determined crystal structures of unbound M(pro) in the space group P2(1).
About this StructureAbout this Structure
2A5K is a Single protein structure of sequence from Human sars coronavirus. Full crystallographic information is available from OCA.
ReferenceReference
Crystal structures of the main peptidase from the SARS coronavirus inhibited by a substrate-like aza-peptide epoxide., Lee TW, Cherney MM, Huitema C, Liu J, James KE, Powers JC, Eltis LD, James MN, J Mol Biol. 2005 Nov 11;353(5):1137-51. Epub 2005 Sep 27. PMID:16219322
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Human sars coronavirus
- Single protein
- Cherney, M M.
- Eltis, L D.
- Huitema, C.
- James, K E.
- James, M N.
- Lee, T W.
- Liu, J.
- Powers, J C.
- AZP
- 3c-like
- Alpha-helical domain
- Aza-peptide epoxide
- C-s covalent bond
- Catalytic dyad
- Chymotrypsin-like fold
- Cysteine peptidase
- Dimer
- Epoxide stereochemistry
- Long loop
- N-finger
- Specificity pocket
- Substrate-like inhibitor