Structure of PDB 5f8j Chain A Binding Site BS06

Receptor Information

>5f8j Chain A (length=462) Species: 39054 (Enterovirus A71)

GEIQWVKPNKETGRLNINGPTRTKLEPSVFHDVFEGNKEPAVLHSKDPRL
EVDFEQALFSKYVGNTLYEPDEYIKEAALHYANQLKQLDIDTSQMSMEEA
CYGTENLEAIDLHTSAGYPYSALGIKKRDILDSTTRDVSKMKFYMDKYGL
DLPYSTYVKDELRSIDKIKKGKSRLIEASSLNDSVYLRMTFGHLYETFHA
NPGTVTGSAVGCNPDTFWSKLPILLPGSLFAFDYSGYDASLSPVWFRALE
LVLREIGYSEEAVSLVEGINHTHHVYRNKTYCVLGGMPSGCSGTSIFNSM
INNIIIRALLIKTFKGIDLDELNMVAYGDDVLASYPFPIDCLELARTGKE
YGLTMTPADKSPCFNEVNWDNATFLKRGFLPDEQFPFLIHPTMPMKEIHE
SIRWTKDARNTQDHVRSLCLLAWHNGKQEYEKFVSAIRSVPVGKALAIPN
YENLRRNWLELF

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 5f8j Chain A Residue 1007

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5f8j Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
• Resolution: 2.675 Å
• Binding residue (original residue number in PDB): R174 G236
• Binding residue (residue number reindexed from 1): R174 G236
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.7.7.48: RNA-directed RNA polymerase.
  3.4.22.28: picornain 3C.
  3.4.22.29: picornain 2A.
  3.6.1.15: nucleoside-triphosphate phosphatase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006351 DNA-templated transcription
• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:5f8j, PDBe:5f8j, PDBj:5f8j
• PDBsum: 5f8j
• PubMed: 27339134
• UniProt: E5RPG2