Structure of PDB 2o8m Chain B

Receptor sequence

>2o8mB (length=154)

QVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTN
VDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLL
SPRPISYLKGSAGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLET
TMRS

3D structure

• PDB: 2o8m Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
• Chain: B
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D81 G137 A139
• Catalytic site (residue number reindexed from 1): H30 D54 G110 A112
• Enzyme Commision number: 2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.98: hepacivirin.
  3.4.22.-
  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	B	V113 R180 S181	V86 R153 S154
BS02	peptide	B	V29 G31 E32 V33 Q34 I35 V36 S37 R62 T63 I64 A65 P70 P88 G90	V2 G4 E5 V6 Q7 I8 V9 S10 R35 T36 I37 A38 P43 P61 G63
BS03	ZN	B	C97 C99 C145	C70 C72 C118

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:2o8m, PDBe:2o8m, PDBj:2o8m
• PDBsum: 2o8m
• PubMed: 17444623
• UniProt: P27958|POLG_HCV77 Genome polyprotein