Structure of PDB 8jce Chain D Binding Site BS01

Receptor Information

>8jce Chain D (length=453) Species: 371094 (Chikungunya virus strain S27-African prototype)

DPVYVDIDADSAFLKALQRAYPMFEVEPRQVTPNDAANARAFSHLAIKLI
EQEIDPDSTILDIGSAPARRMMSDRKYHCVCPMRSAEDPERLANYARKLA
SAAGKVLDRNISGKIGDLQAVMAVPDTETPTFCLHTDVSCRQRADVAIYQ
DVYAVHAPTSLYHQAIKGVRLAYWVGFDTTPFMYNAMAGAYPSYSTNWAD
EQVLKAKNIGLCSTDLTEGRRGKLSIMRGKKLEPCDRVLFSVGSTLYPES
RKLLKSWHLPSVFHLKGKLSFTCRCDTVVSCEGYVVKRITMSPGLYGKTT
GYAVTHHADGFLMCKTTDTVDGERVSFSVCTYVPATICDQMTGILATEVT
PEDAQKLLVGLNQRTNTMKNYMIPVVAQAFSKWAKECRKDMEDEKLLGVR
ERTWAFKKQKTHTVYKRPDTQSIQKVQAEFDSFVWSSGLSIPLRTRIKWL
LSK

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: 8jce Chain D Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8jce Chikungunya virus Non-structural Protein 1 is a versatile RNA capping and decapping enzyme.
• Resolution: 2.41 Å
• Binding residue (original residue number in PDB): H79 E129 C134 C141
• Binding residue (residue number reindexed from 1): H78 E128 C133 C140
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.-
  2.7.7.-
  2.7.7.19: polynucleotide adenylyltransferase.
  2.7.7.48: RNA-directed RNA polymerase.
  3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
  3.4.22.-
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.1.74: mRNA 5'-phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0008174 mRNA methyltransferase activity

Biological Process

• GO:0006396 RNA processing
• GO:0016556 mRNA modification

External links

• PDB: RCSB:8jce, PDBe:8jce, PDBj:8jce
• PDBsum: 8jce
• PubMed: 37918803
• UniProt: Q8JUX6|POLN_CHIKS Polyprotein P1234