Structure of PDB 5w8u Chain A Binding Site BS01

Receptor Information

>5w8u Chain A (length=319) Species: 1235996 (Human betacoronavirus 2c EMC/2012) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LTIEVLVTVDGVNFRTVVLNNKNTYRSQLGCVFFNGADISDTIPDEKQNG
HSLYLADNLTADETKALKELYGPVDPTFLHRFYSLKAAVHGWKMVVCDKV
RSLKLSDNNCYLNAVIMTLDLLKDIKFVIPALQHAFMKHKGGDSTDFIAL
IMAYGNCTFGAPDDASRLLHTVLAKAELCCSARMVWREWCNVCGIKDVVL
QGLKACCYVGVQTVEDLRARMTYVCQCGGERHRQLVEHTTPWLLLSGTPN
EKLVTTSTAPDFVAFNVFQGIETAVGHYVHARLKGGLILKFDSGTVSKTS
DWKCKVTDVLFPGQKYSSD

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

5w8u Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5w8u Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus.
Resolution	2.411 Å
Binding residue (original residue number in PDB)	C191 C194 C226 C228
Binding residue (residue number reindexed from 1)	C190 C193 C225 C227
Annotation score	1

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:5w8u, PDBe:5w8u, PDBj:5w8u
PDBsum	5w8u
PubMed	28931677
UniProt	M4STU1

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