Structure of PDB 5y3q Chain A Binding Site BS01

Receptor Information
>5y3q Chain A (length=317) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEVKTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVN
HEGKTFFVLPSDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVG
GLTSIKWADNNCYLSSVLLALQQLEVKFNAPALQEAYYRARAGDAANFCA
LILAYSNKTVGELGDVRETMTHLLQHANLESAKRVLNVVCKHCGQKTTTL
TGVEAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQESSFVMMSAPPA
EYKLQQGTFLCANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGP
VTDVFYKETSYTTTILE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5y3q 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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PDB5y3q Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Resolution1.65 Å
Binding residue
(original residue number in PDB)		C190 C193 C225 C227
Binding residue
(residue number reindexed from 1)		C190 C193 C225 C227
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.50: mRNA guanylyltransferase.
3.4.19.12: ubiquitinyl hydrolase 1.
3.4.22.-
3.4.22.69: SARS coronavirus main proteinase.
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:5y3q, PDBe:5y3q, PDBj:5y3q
PDBsum5y3q
PubMed29289665
UniProtP0C6U8|R1A_SARS Replicase polyprotein 1a (Gene Name=1a)

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