Brand  (β version)

PDB ID: 5EU8

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
02J 5-methyl-1,2-oxazole-3-carboxylic acid
PJE (E,4s)-4-azanyl-5-[(3s)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
Glycosylation
Code Name Emphasize
Modification
Code Name Show
010 Phenylmethanol

Structure summary

Code : 5EU8   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Structure of FIPV main protease in complex with dual inhibitors
Release Data : 2015-12-30
Compound :
mol_id molecule chains
1 main protease A
mol_id molecule chains
2 N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE B
Source :
mol_id organism_scientific organism_common expression_system
1 Feline infectious peritonitis virus  (taxid:11135) FIPV Escherichia coli BL21(DE3)  (taxid:469008)
gene: 1b, ORF1a
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pGEX-6P-1
mol_id organism_scientific
2 Synthetic construct  (taxid:32630)
synthetic: yes
Authors : Wang, F., Chen, C., Liu, X., Yang, K., Xu, X., Yang, H.
Keywords : FIPV, main protease, dual inhibitors, zinc, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.447 Å )
Citation :

Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors

Wang, F.,Chen, C.,Liu, X.  et al.
(2015)  J.Virol.  90 : 1910 - 1917

PubMed: 26656689
DOI: 10.1128/JVI.02685-15

Reaction

Chain : A
UniProt : V9PIT1 (V9PIT1_9ALPC)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + H(+) + phosphate 3.6.4.12 ARBA:ARBA00001665
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ATP + H2O = ADP + H(+) + phosphate 3.6.4.13 ARBA:ARBA00001556
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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 ARBA:ARBA00000707
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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 + H(+) + S- adenosyl-L-homocysteine 2.1.1.57 ARBA:ARBA00024256
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uridylyl-uridylyl-ribonucleotide-RNA = a 3'-end uridylyl- 2',3'-cyclophospho-uridine-RNA + a 5'-end dephospho-ribonucleoside- RNA - ARBA:ARBA00024600
-