Brand  (β version)

PDB ID: 4YOJ

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
FMT Formic acid PoSSuM
RFM N-{4-[(1h-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4YOJ   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase Inhibitor
Title : HKU4 3CLpro bound to non-covalent inhibitor 2A
Release Data : 2015-08-05
Compound :
mol_id molecule chains synonym
1 3C-like proteinase A,B 3CL-PRO, 3CLp
ec: 3.4.22.-
Source :
mol_id organism_scientific organism_common expression_system
1 Bat coronavirus HKU4  (taxid:694007) BtCoV Escherichia coli  (taxid:562)
gene: rep, 1a-1b
Authors : St John, S.E., Mesecar, A.
Keywords : HKU4 3CLpro Mpro nsp5, Hydrolase-Hydrolase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).

St John, S.E.,Tomar, S.,Stauffer, S.R.  et al.
(2015)  Bioorg.Med.Chem.  23 : 6036 - 6048

PubMed: 26190463
DOI: 10.1016/j.bmc.2015.06.039

Reaction

Chain : A, B
UniProt : P0C6W3 (R1AB_BCHK4)
Reaction: EC: Evidence:
Physiological Direction:
[RNA-directed RNA polymerase nsp12]
a ribonucleoside 5'-triphosphate + RNA(n) = diphosphate + RNA(n+1) 		2.7.7.48 PROSITE-ProRule:PRU00539
-
[Helicase nsp13]
ATP + H2O = ADP + H(+) + phosphate 		3.6.4.12 -
-
[Helicase nsp13]
ATP + H2O = ADP + H(+) + phosphate 		3.6.4.13 -
-
[Papain-like proteinase nsp3]
Thiol-dependent hydrolysis of ester, thioester, 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). 		3.4.19.12 -
-
[2'-O-methyltransferase nsp16]
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 + H(+) + S- adenosyl-L-homocysteine 		2.1.1.57 UniProtKB:P0C6X7
-
[Uridylate-specific endoribonuclease nsp15]
uridylyl-uridylyl-ribonucleotide-RNA = a 3'-end uridylyl- 2',3'-cyclophospho-uridine-RNA + a 5'-end dephospho-ribonucleoside- RNA 		- UniProtKB:P0C6X7
-
[RNA-directed RNA polymerase nsp12]
a 5'-end diphospho-ribonucleoside in mRNA + GTP + H(+) = a 5'- end (5'-triphosphoguanosine)-(ribonucleoside) in mRNA + diphosphate 		2.7.7.50 UniProtKB:P0DTD1
left-to-right
[Guanine-N7 methyltransferase nsp14]
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 		2.1.1.56 UniProtKB:P0C6X7
left-to-right