Structure of PDB 2p59 Chain B

Receptor sequence

>2p59B (length=181)

APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCING
VCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCG
SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHA
VGLFRAAVCTRGVAKAVDFIPVENLETTMRS

3D structure

• PDB: 2p59 Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics.
• Chain: B
• Resolution: 2.9 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H1083 D1107 G1163 S1165
• Catalytic site (residue number reindexed from 1): H57 D81 G137 S139
• Enzyme Commision number: 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	B	T1030 Y1032 A1033	T4 Y6 A7
BS02	peptide	B	T1030 A1031 Y1032 A1033 Q1034 T1036 R1037 C1042 T1045 S1046 E1056 E1058 V1059 I1061 V1062 S1063 R1088 T1089 I1090 A1091 V1133 R1135	T4 A5 Y6 A7 Q8 T10 R11 C16 T19 S20 E30 E32 V33 I35 V36 S37 R62 T63 I64 A65 V107 R109
BS03	GG4	B	Q1067 H1083 K1162 G1163 S1165 F1180 R1181 A1182 A1183 V1184 C1185 D1194	Q41 H57 K136 G137 S139 F154 R155 A156 A157 V158 C159 D168	PDBbind-CN: -logKd/Ki=7.30,Ki=0.05uM

Gene Ontology

Molecular Function

• GO:0008233 peptidase activity
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0019062 virion attachment to host cell
• GO:0019087 transformation of host cell by virus
• GO:0046718 symbiont entry into host cell
• GO:0097264 self proteolysis

Cellular Component

• GO:0016020 membrane
• GO:0033644 host cell membrane
• GO:0044423 virion component

External links

• PDB: RCSB:2p59, PDBe:2p59, PDBj:2p59
• PDBsum: 2p59
• PubMed: 17482818
• UniProt: Q91RS4