Structure of PDB 5uj2 Chain A Binding Site BS03

Receptor Information

>5uj2 Chain A (length=534)

SSMSYSWTGALITPCGPEEEKLPINPLSNSLLRYHNKVYCTTSKSASQRA
KKVTFDRTQVLDAHYDSVLKDIKLAASKVSARLLTLQQACQLTPPHSARS
KYGFGAKEVRSLSGRAVNHIKSVWKDLLEDPQTPIPTTIMAKNEVFCVDP
AKGGKKPARLIVYPDLGVRVCEKMALYDITQKLPQAVMGASYGFQYSPAQ
RVEYLLKAWAEKKDPMGFSYDTRHFDSTVTERDIRTEESIYQACSLPEEA
RTAIHSLTERLYVGGPMFNSKGQTCGYRRCRASGVLTTSMGNTITCYVKA
LAACKAAGIVAPTMLVCGDDLIVISESQGTEEDERNLRAFTEAMTRYSAP
PGDPPRPEYDLELITSCSSNVSVALGPRGRRRYYLTRDPTTPLARAAWET
VRHSPINSWLGNIIQYAPTIWVRMVLMTHFFSILMVQDTLDQNLYGVNPL
DLPAIIERLHGLDAFSMHTYSHHELTRVASALRKLGAPPLRVWKSRARAV
RASLISRGGKAAVCGRYLFNWAVKTKLKLTPLPE

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: 5uj2 Chain P Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5uj2 Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): D220 D318 D319
• Binding residue (residue number reindexed from 1): D221 D319 D320
• 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:5uj2, PDBe:5uj2, PDBj:5uj2
• PDBsum: 5uj2
• PubMed: 28274633
• UniProt: Q99IB8|POLG_HCVJF Genome polyprotein