Structure of PDB 4i31 Chain A Binding Site BS01

Receptor Information

>4i31 Chain A (length=182) Species: 11116 (Hepatitis C virus (isolate Japanese))

APITAYSQQTRGLLGCIITSLTGRDKNQVDGEVQVLSTATQSFLATCVNG
VCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWPAPPGARSMTPCTCG
SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHV
VGIFRAAVCTRGVAKAVDFIPVESMETTMRAS

Ligand information

>4i31 Chain C (length=13) Species: 11116 (Hepatitis C virus (isolate Japanese))

KGSVVIVGRIILS

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4i31 Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
• Resolution: 1.9301 Å
• Binding residue (original residue number in PDB): T4 A5 Y6 S7 Q8 T10 R11 C16 S20 D30 G31 E32 V33 Q34 V35 L36 S37 K62 T63 L64 A65 R92
• Binding residue (residue number reindexed from 1): T4 A5 Y6 S7 Q8 T10 R11 C16 S20 D30 G31 E32 V33 Q34 V35 L36 S37 K62 T63 L64 A65 R92

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D81 G137 S139
• Catalytic site (residue number reindexed from 1): H57 D81 G137 S139
• 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.

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:4i31, PDBe:4i31, PDBj:4i31
• PDBsum: 4i31
• PubMed: 23271737
• UniProt: P26662|POLG_HCVJA Genome polyprotein