Structure of PDB 4rf1 Chain A Binding Site BS02

Receptor Information
>4rf1 Chain A (length=319) Species: 1306931 (Human betacoronavirus 2c Jordan-N3/2012) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTIEVLVTVDGVNFRTVVLNNKNTYRSQLGCVFFNGADISDTIPDEKQNG
HSLYLADNLTADETKALKELYGPVDPTFLHRFYSLKAAVHGWKMVVCDKV
RSLKLSDNNCYLNAVIMTLDLLKDIKFVIPALQHAFMKHKGGDSTDFIAL
IMAYGNCTFGAPDDASRLLHTVLAKAELCCSARMVWREWCNVCGIKDVVL
QGLKACCYVGVQTVEDLRARMTYVCQCGGERHRQLVEHTTPWLLLSGTPN
EKLVTTSTAPDFVAFNVFQGIETAVGHYVHARLKLILKFDSGTVSKTSDW
KCKVTDVLFPGQKYSSDCN
Ligand information
Ligand ID3CN
InChIInChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
InChIKeyWGYKZJWCGVVSQN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04NCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCN
FormulaC3 H9 N
Name3-AMINOPROPANE
ChEMBLCHEMBL14409
DrugBank
ZINCZINC000016052656
PDB chain4rf1 Chain B Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rf1 Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		N1590 C1592 G1758
Binding residue
(residue number reindexed from 1)		N108 C110 G276
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:4rf1, PDBe:4rf1, PDBj:4rf1
PDBsum4rf1
PubMed25320088
UniProtM4STU1

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