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PDBsum entry 5n5o
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PDB id:
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Hydrolase
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Title:
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Structure of sars coronavirus main protease in complex with the alpha- ketoamide (s)-n-benzyl-3-((s)-2-cinnamamido-3- cyclopropylpropanamido)-2-oxo-4-((s)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-cyclopropylalanine-glnlactam-co-co-nh-benzyl)
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Structure:
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Replicase polyprotein 1ab. Chain: a. Synonym: pp1ab,orf1ab polyprotein. Ec: 3.4.19.12,3.4.22.69,3.4.22.-,2.7.7.48,3.6.4.12,3.6.4.13,2.1.1.-, 3.1.13.-,3.1.-.-. Engineered: yes
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Source:
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Sars coronavirus. Organism_taxid: 227859. Gene: rep, 1a-1b. 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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0.195
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R-free:
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0.252
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Authors:
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L.Zhang,R.Hilgenfeld
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Key ref:
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D.Lin
et al.
Alpha-Ketoamides as broad-Spectrum inhibitors of coro and enterovirus replication.
To be published,
.
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Date:
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14-Feb-17
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Release date:
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07-Mar-18
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PROCHECK
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Headers
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References
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P0C6X7
(R1AB_CVHSA) -
Replicase polyprotein 1ab from Severe acute respiratory syndrome coronavirus
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Seq:
Struc:
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7073 a.a.
306 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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Enzyme class 2:
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E.C.2.1.1.-
- ?????
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Enzyme class 3:
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E.C.2.1.1.56
- mRNA (guanine-N(7))-methyltransferase.
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Reaction:
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a 5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L- methionine = a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L-homocysteine
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5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA
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+
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S-adenosyl-L- methionine
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=
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5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA
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+
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S-adenosyl-L-homocysteine
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Enzyme class 4:
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E.C.2.1.1.57
- methyltransferase cap1.
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Reaction:
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a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L-methionine = a 5'-end (N(7)-methyl 5'-triphosphoguanosine)- (2'-O-methyl-ribonucleoside) in mRNA + S-adenosyl-L-homocysteine + H+
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5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA
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+
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S-adenosyl-L-methionine
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=
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5'-end (N(7)-methyl 5'-triphosphoguanosine)- (2'-O-methyl-ribonucleoside) in mRNA
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+
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S-adenosyl-L-homocysteine
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+
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H(+)
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Enzyme class 5:
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E.C.2.7.7.48
- RNA-directed Rna polymerase.
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Reaction:
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RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate
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RNA(n)
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+
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ribonucleoside 5'-triphosphate
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=
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RNA(n+1)
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+
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diphosphate
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Enzyme class 6:
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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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+
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diphosphate
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Enzyme class 7:
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E.C.3.1.13.-
- ?????
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Enzyme class 8:
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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 9:
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E.C.3.4.22.-
- ?????
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Enzyme class 10:
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E.C.3.4.22.69
- Sars coronavirus main proteinase.
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Enzyme class 11:
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E.C.3.6.4.12
- Dna helicase.
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Reaction:
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ATP + H2O = ADP + phosphate + H+
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ATP
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H2O
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=
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ADP
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+
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phosphate
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+
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H(+)
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Enzyme class 12:
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E.C.3.6.4.13
- Rna helicase.
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Reaction:
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ATP + H2O = ADP + phosphate + H+
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ATP
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H2O
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=
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ADP
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phosphate
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+
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H(+)
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Enzyme class 13:
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E.C.4.6.1.-
- ?????
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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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Links
