Structure of PDB 7d6n Chain E Binding Site BS02

Receptor Information

>7d6n Chain E (length=588) Species: 11084 (Tick-borne encephalitis virus)

DKVKEKDVQERISALREQYGETWHMDREHPYRTWQYWGSYRTAPTGSAAS
LINGVVKLLSWPWNAREDVVRMAMTDTTAFGQQRVFKEKVDTKAQEPQPG
TKVIMRAVNDWILERLARKSKPRMCSREEFIAKVKSQNSSAKEAVEDPAF
WQLVDEERERHLAGRCAHCVYNMMIWYMWLGSRFLEFEALGFLNEDHWAS
RGSSGSGVEGISLNYLGWYLKGLSTLEGGLFYADDTAGWDTKVTNADLED
EEQLLRYMEGEHKQLAATIMQKAYHAKVVKVARPSRDGGCVMDVITRRDQ
RGSGQVVTYALNTLTNIKVQLIRMMEGEGVIEASDAHNPRLLRVERWLRD
HGEERLGRMLVSGDDCVVRPVDDRFSRALYFLNDMAKTRKDIGEWEHSVG
FSNWEEVPFCSHHFHELVMKDGRALIVPCRDQDELVGRARVSPGCGWSVR
ETACLSKAYGQMWLLSYFHRRDLRTLGLAICSAVPIDWVPTGRTTWSIHA
SGAWMTTEDMLDVWNRVWILDNPFMHSKEKIVEWRDVPYLPKSHDMLCSS
LVGRKERAEWAKNIWGAVEKVRKMIGQEKFKDYLSCMD

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7d6n Chain E Residue 1002

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): E439 H443 C448 C451
• Binding residue (residue number reindexed from 1): E157 H161 C166 C169
• 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