Structure of PDB 7d6n Chain I Binding Site BS03

Receptor Information

>7d6n Chain I (length=586) Species: 11084 (Tick-borne encephalitis virus)

KVKEKDVQERISALREQYGETWHMDREHPYRTWQYWGSYRTAPTGSAASL
INGVVKLLSWPWNAREDVVRMAMTDTTAFGQQRVFKEKVDTKAQEPQPGT
KVIMRAVNDWILERLARKSKPRMCSREEFIAKVKSQNRSAKEAVEDPAFW
QLVDEERERHLAGRCAHCVYNMMWYMWLGSRFLEFEALGFLNEDHWASRG
SSGSGVEGISLNYLGWYLKGLSTLEGGLFYADDTAGWDTKVTNADLEDEE
QLLRYMEGEHKQLAATIMQKAYHAKVVKVARPSRDGGCVMDVITRRDQRG
SGQVVTYALNTLTNIKVQLIRMMEGEGVIEASDAHNPRLLRVERWLRDHG
EERLGRMLVSGDDCVVRPVDDRFSRALYFLNDMAKTRKDIGEWEHSVGFS
NWEEVPFCSHHFHELVMKDGRALIVPCRDQDELVGRARVSPGCGWSVRET
ACLSKAYGQMWLLSYFHRRDLRTLGLAICSAVPIDWVPTGRTTWSIHASG
AWMTTEDMLDVWNRVWILDNPFMHSKEKIVEWRDVPYLPKSHDMLCSSLV
GRKERAEWAKNIWGAVEKVRKMIGQEKFKDYLSCMD

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: 7d6n Chain I Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7d6n Crystal structure of tick-borne encephalitis virus
• Resolution: 3.168 Å
• Binding residue (original residue number in PDB): A533 D535 D665
• Binding residue (residue number reindexed from 1): A231 D233 D363
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.91: flavivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003968 RNA-dependent RNA polymerase activity
• GO:0005524 ATP binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:7d6n, PDBe:7d6n, PDBj:7d6n
• PDBsum: 7d6n
• UniProt: K4P8A2