Structure of PDB 2xcf Chain A Binding Site BS04

Receptor Information

>2xcf Chain A (length=180)

APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCING
VCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCG
SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSAGGPLLCPAGHA
VGLFRAAVCTRGVAKAVDFIPVENLETTMR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2xcf Chain A Residue 1181

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xcf Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
• Resolution: 2.48 Å
• Binding residue (original residue number in PDB): A5 A111
• Binding residue (residue number reindexed from 1): A5 A111
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D81 G137 A139
• Catalytic site (residue number reindexed from 1): H57 D81 G137 A139
• Enzyme Commision number: 3.6.4.13: RNA helicase.

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

Cellular Component

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

External links

• PDB: RCSB:2xcf, PDBe:2xcf, PDBj:2xcf
• PDBsum: 2xcf
• PubMed: 20493689
• UniProt: C1KHN2