Structure of PDB 6t4e Chain B Binding Site BS01

Receptor Information
>6t4e Chain B (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]
PPTLWSRVTKFGSGWGFWVSPTVFITTTHVIPTSAKEFFGEPLTSIAIHR
AGEFTLFRFSKKIRPDLTGMILEEGCPEGTVCSVLIKRDSGELLPLAVRM
GAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVYKRANDW
VVCGVHAAATKSGNTVVCAVQA
Ligand information
Ligand IDHWH
InChIInChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyUDLASALUJLTGJV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)NCCc1c[nH]c2c1cc(cc2)F
CACTVS 3.385CC(=O)NCCc1c[nH]c2ccc(F)cc12
FormulaC12 H13 F N2 O
Name~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
ChEMBLCHEMBL284521
DrugBank
ZINCZINC000000077351
PDB chain6t4e 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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PDB6t4e In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		G80 R100
Binding residue
(residue number reindexed from 1)		G79 R99
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:6t4e, PDBe:6t4e, PDBj:6t4e
PDBsum6t4e
PubMed32743543
UniProtQ04544|POLG_SOUV3 Genome polyprotein (Gene Name=ORF1)

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