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PDBsum entry 3aw1
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PDB id:
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Hydrolase
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Title:
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Structure of sars 3cl protease auto-proteolysis resistant mutant in the absent of inhibitor
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Structure:
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3c-like proteinase. Chain: a, b. Synonym: 3cl-pro, 3clp, nsp5. Engineered: yes. Mutation: yes
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Source:
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Sars coronavirus. Sars-cov. Organism_taxid: 227859. Gene: 1a. Expressed in: escherichia coli. Expression_system_taxid: 562.
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Resolution:
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2.00Å
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R-factor:
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0.226
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R-free:
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0.263
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Authors:
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K.Akaji,H.Konno,H.Mitsui,K.Teruya,Y.Hattori,T.Ozaki,M.Kusunoki, A.Sanjho
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Key ref:
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K.Akaji
et al.
(2011).
Structure-based design, synthesis, and evaluation of peptide-mimetic SARS 3CL protease inhibitors.
J Med Chem,
54,
7962-7973.
PubMed id:
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Date:
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09-Mar-11
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Release date:
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14-Dec-11
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PROCHECK
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Headers
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References
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P0C6U8
(R1A_CVHSA) -
Replicase polyprotein 1a from Severe acute respiratory syndrome coronavirus
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Seq:
Struc:
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4382 a.a.
301 a.a.*
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class 1:
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E.C.2.7.7.50
- mRNA guanylyltransferase.
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Reaction:
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a 5'-end diphospho-ribonucleoside in mRNA + GTP + H+ = a 5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA + diphosphate
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5'-end diphospho-ribonucleoside in mRNA
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GTP
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H(+)
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=
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5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA
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diphosphate
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Enzyme class 2:
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E.C.3.4.19.12
- ubiquitinyl hydrolase 1.
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Reaction:
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Thiol-dependent hydrolysis of ester, thiolester, amide, peptide and isopeptide bonds formed by the C-terminal Gly of ubiquitin (a 76-residue protein attached to proteins as an intracellular targeting signal).
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Enzyme class 3:
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E.C.3.4.22.-
- ?????
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Enzyme class 4:
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E.C.3.4.22.69
- Sars coronavirus main proteinase.
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Note, where more than one E.C. class is given (as above), each may
correspond to a different protein domain or, in the case of polyprotein
precursors, to a different mature protein.
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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J Med Chem
54:7962-7973
(2011)
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PubMed id:
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Structure-based design, synthesis, and evaluation of peptide-mimetic SARS 3CL protease inhibitors.
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K.Akaji,
H.Konno,
H.Mitsui,
K.Teruya,
Y.Shimamoto,
Y.Hattori,
T.Ozaki,
M.Kusunoki,
A.Sanjoh.
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ABSTRACT
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Links
