Structure of PDB 3kee Chain A Binding Site BS01

Receptor Information
>3kee Chain A (length=178) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVC
WTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCGSS
DLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHAVG
IFRAAVCTRGVAKAVDFVPVESMETTMR
Ligand information
Receptor-Ligand Complex Structure
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PDB3kee Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Resolution2.4 Å
Binding residue
(original residue number in PDB)		T4 A5 Y6 S7 Q8 T10 R11 C16 T19 S20 E30 V33 Q34 V35 V36 S37 A59 K62 T63 L64 A65
Binding residue
(residue number reindexed from 1)		T2 A3 Y4 S5 Q6 T8 R9 C14 T17 S18 E28 V31 Q32 V33 V34 S35 A57 K60 T61 L62 A63
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D81 G137 S139
Catalytic site (residue number reindexed from 1) H55 D79 G135 S137
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3kee, PDBe:3kee, PDBj:3kee
PDBsum3kee
PubMed20166108
UniProtP90191

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