Structure of PDB 6tal Chain B Binding Site BS01

Receptor Information
>6tal Chain B (length=171) Species: 37129 (Southampton virus (serotype 3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTLWSRVTKFGSGWGFWVSPTVFITTTHVIPTSAKEFFGEPLTSIAIHRA
GEFTLFRFSKKIRPDLTGMILEEGCPEGTVCSVLIKRDSGELLPLAVRMG
AIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVYKRANDWV
VCGVHAAATKSGNTVVCAVQA
Ligand information
Ligand IDMZW
InChIInChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKeyQXTRPGAMVIONMK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1nnc(s1)N
CACTVS 3.385CCc1sc(N)nn1
FormulaC4 H7 N3 S
Name5-ethyl-1,3,4-thiadiazol-2-amine
ChEMBLCHEMBL568688
DrugBank
ZINCZINC000017744087
PDB chain6tal Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tal In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		K88 R89 G92
Binding residue
(residue number reindexed from 1)		K86 R87 G90
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:6tal, PDBe:6tal, PDBj:6tal
PDBsum6tal
PubMed32743543
UniProtQ04544|POLG_SOUV3 Genome polyprotein (Gene Name=ORF1)

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