Structure of PDB 6cy9 Chain A Binding Site BS01

Receptor Information

>6cy9 Chain A (length=310) Species: 28875 (Rotavirus A)

AELACFCYPHLENDSYKFIPFNNLAIKAMLTAKVDKKDMDKFYDSIIYGI
APPPQFKKRYNTNDNSRGMNFETIMFTKVAMLICEALNSLKVTQANVSNV
LSRVVSIRHLENLVIRKENPQDILFHSKDLLLKSTLIAIGQSKEIETTIT
AEGGEIVFQNAAFTMWKLTYLEHQLMPILDQNFIEYKVTLNEDKPISDVH
VKELVAELRWQYNKFAVITHGKGHYRIVKYSSVANHADRVYATFKSNVKT
GVNNDFNLLDQRIIWQNWYAFTSSMKQGNTLDVCKRLLFQKMKPNPFKGL
STDRKMDEVS

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: 6cy9 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cy9 Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories.
• Resolution: 2.615 Å
• Binding residue (original residue number in PDB): H221 K223 H225 R227
• Binding residue (residue number reindexed from 1): H220 K222 H224 R226
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.4.-

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003723 RNA binding
• GO:0004550 nucleoside diphosphate kinase activity
• GO:0005524 ATP binding
• GO:0016787 hydrolase activity
• GO:0016817 hydrolase activity, acting on acid anhydrides
• GO:0017111 ribonucleoside triphosphate phosphatase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019079 viral genome replication

Cellular Component

• GO:0030430 host cell cytoplasm

External links

• PDB: RCSB:6cy9, PDBe:6cy9, PDBj:6cy9
• PDBsum: 6cy9
• PubMed: 30509975
• UniProt: A2T3P0|NSP2_ROTSH Non-structural protein 2