Structure of PDB 6t8r Chain A Binding Site BS01

Receptor Information
>6t8r Chain A (length=172) Species: 37129 (Southampton virus (serotype 3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APPTLWSRVTKFGSGWGFWVSPTVFITTTHVIPTSAKEFFGEPLTSIAIH
RAGEFTLFRFSKKIRPDLTGMILEEGCPEGTVCSVLIKRDSGELLPLAVR
MGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVYKRAND
WVVCGVHAAATKSGNTVVCAVQ
Ligand information
Ligand IDGVY
InChIInChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
InChIKeyZLHDTOUWXDZDGO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1sc(nn1)c2ccc(O)cc2
ACDLabs 12.01n2c(c1ccc(cc1)O)sc(N)n2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2nnc(s2)N)O
FormulaC8 H7 N3 O S
Name4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
ChEMBLCHEMBL4471826
DrugBank
ZINCZINC000000530971
PDB chain6t8r Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6t8r In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		V20 G70 M71 Q172
Binding residue
(residue number reindexed from 1)		V20 G70 M71 Q172
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.66: calicivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6t8r, PDBe:6t8r, PDBj:6t8r
PDBsum6t8r
PubMed32743543
UniProtQ04544|POLG_SOUV3 Genome polyprotein (Gene Name=ORF1)

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