Structure of PDB 2brk Chain A Binding Site BS01

Receptor Information

>2brk Chain A (length=512)

SMSYTWTGALITPCAAEESKLMVYATTSRSAGLRQKKVTFDRLQVLDDHY
RDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKSKFGYGAKDVRNLSSK
AVNHIHSVWKDLLEDTVTPIDTTIMAKNEVFCVGRKPARLIVFPDLGVRV
CEKMALYDVVSTLPQVVMGSSYGFQYSPGQRVEFLVNTWKSKKNPMGFSY
DTRCFDSTVTENDIRVEESIYQCCDLAPEARQAIKSLTERLYIGGPLTNS
KGQNCGYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVNGDD
LVVICESAGTQEDAASLRVFTEAMTRYSAPPGDPPQPEYDLELITSCSSN
VSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMYAPTL
WARMILMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIERLHGL
SAFSLHSYSPGEINRVASCLRKLGVPPLRVWRHRARSVRARLLSQGGRAA
TCGKYLFNWAVK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 2brk Chain A Residue 1532

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2brk Interdomain Communication in Hepatitis C Virus Polymerase Abolished by Small-Molecule Inhibitors Bound to a Novel Allosteric Site
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D220 T221 D318
• Binding residue (residue number reindexed from 1): D201 T202 D299
• Annotation score: 1

Enzymatic activity

• 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:0003723 RNA binding
• GO:0003968 RNA-dependent RNA polymerase activity

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:2brk, PDBe:2brk, PDBj:2brk
• PDBsum: 2brk
• PubMed: 15955819
• UniProt: P26663|POLG_HCVBK Genome polyprotein