Structure of PDB 6bi8 Chain A Binding Site BS02

Receptor Information
>6bi8 Chain A (length=259) Species: 1235996 (Human betacoronavirus 2c EMC/2012) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDETKALKELYGPVDPTFLHRFYSLKAAVHGWKMVVCDKVRSLKLSDNNC
YLNAVIMTLDLLKDIKFVIPALQHAFMKHKGGDSTDFIALIMAYGNCTFG
APDDASRLLHTVLAKAELCCSARMVWREWCNVCGIKDVVLQGLKACCYVG
VQTVEDLRARMTYVCQCGGERHRQLVEHTTPWLLLSGTPNEKLVTTSTAP
DFVAFNVFQGIETAVGHYVHARLKGGLILKFDSGTVSKTSDWKCKVTDVL
FPGQKYSSD
Ligand information
Ligand IDAYE
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKeyVVJKKWFAADXIJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCC=C
OpenEye OEToolkits 1.5.0C=CCN
ACDLabs 10.04C=C\CN
FormulaC3 H7 N
Nameprop-2-en-1-amine;
ALLYLAMINE
ChEMBLCHEMBL57286
DrugBank
ZINCZINC000017654097
PDB chain6bi8 Chain A Residue 1905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bi8 Decoupling deISGylating and deubiquitinating activities of the MERS virus papain-like protease.
Resolution2.291 Å
Binding residue
(original residue number in PDB)		N1590 C1592
Binding residue
(residue number reindexed from 1)		N48 C50
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.57: methyltransferase cap1.
3.4.19.12: ubiquitinyl hydrolase 1.
3.6.4.12: DNA helicase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6bi8, PDBe:6bi8, PDBj:6bi8
PDBsum6bi8
PubMed31765674
UniProtK0BWD0

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