Structure of PDB 3lox Chain C

Receptor sequence

>3loxC (length=151)

VEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNV
DQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLS
PRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETT
M

3D structure

• PDB: 3lox The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
• Chain: C
• Resolution: 2.65 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D81 G137 S139
• Catalytic site (residue number reindexed from 1): H29 D53 G109 S111
• Enzyme Commision number: 3.4.21.98: hepacivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	peptide	C	G31 A111	G3 A83
BS02	peptide	C	V29 E30 G31 E32 V33 I35 V36 S37 R62 T63 I64 A65 P88	V1 E2 G3 E4 V5 I7 V8 S9 R34 T35 I36 A37 P60
BS03	ZN	C	C97 C99 C145	C69 C71 C117

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:3lox, PDBe:3lox, PDBj:3lox
• PDBsum: 3lox
• PubMed: 20303756
• UniProt: Q9ELS8