Structure of PDB 3kee Chain D

Receptor sequence

>3keeD (length=178)

ITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVC
WTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCGSS
DLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHAVG
IFRAAVCTRGVAKAVDFVPVESMETTMR

3D structure

• PDB: 3kee Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
• Chain: D
• Resolution: 2.4 Å

Enzymatic activity

• 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	D	T4 A5 Y6 S7 Q8 Q9 T10 R11 C16 T19 S20 E30 V33 Q34 V35 V36 S37 K62 T63 L64 T108	T2 A3 Y4 S5 Q6 Q7 T8 R9 C14 T17 S18 E28 V31 Q32 V33 V34 S35 K60 T61 L62 T106
BS02	30B	D	Q41 F43 Y56 H57 D81 V132 L135 K136 G137 S139 F154 R155 A156 A157 D168	Q39 F41 Y54 H55 D79 V130 L133 K134 G135 S137 F152 R153 A154 A155 D166
BS03	ZN	D	C97 C99 C145	C95 C97 C143

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:3kee, PDBe:3kee, PDBj:3kee
• PDBsum: 3kee
• PubMed: 20166108
• UniProt: P90191