Structure of PDB 3lon Chain A Binding Site BS01

Receptor Information

>3lon Chain A (length=181)

APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCING
VCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCG
SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHA
VGLFRAAVCTRGVAKAVDFIPVENLETTMRS

Ligand information

>3lon Chain B (length=22)

KGSVVIVGRIVLSGKPAIIPKK

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3lon Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): A1 T4 A5 Y6 A7 Q8 Q9 T10 R11 C16 T19 S20 E30 E32 V33 Q34 I35 V36 S37 R62 T63 I64 A65 R92 V107
• Binding residue (residue number reindexed from 1): A1 T4 A5 Y6 A7 Q8 Q9 T10 R11 C16 T19 S20 E30 E32 V33 Q34 I35 V36 S37 R62 T63 I64 A65 R92 V107

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D81 G137 S139
• Catalytic site (residue number reindexed from 1): H57 D81 G137 S139
• Enzyme Commision number: 3.4.21.98: hepacivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis
• GO:0019087 transformation of host cell by virus

External links

• PDB: RCSB:3lon, PDBe:3lon, PDBj:3lon
• PDBsum: 3lon
• UniProt: Q9ELS8