Structure of PDB 7h1n Chain B Binding Site BS02

Receptor Information

>7h1n Chain B (length=154) Species: 64320 (Zika virus)

ETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLD
PYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIF
KTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAIT
QGKR

Ligand information

• Ligand ID: W2M
• InChI: InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1
• InChIKey: ABOZUPQQWCLVDB-GFCCVEGCSA-N
• SMILES:
  CACTVS 3.385: O=C1Nc2ccccc2C[C]13CCCN3
  CACTVS 3.385: O=C1Nc2ccccc2C[C@]13CCCN3
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)CC3(CCCN3)C(=O)N2
  ACDLabs 12.01: N3C2(Cc1c(cccc1)NC2=O)CCC3
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2
• Formula: C12 H14 N2 O
• Name: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
• PDB chain: 7h1n Chain B Residue 204

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7h1n PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
• Resolution: 1.407 Å
• Binding residue (original residue number in PDB): D129 Y130 P131
• Binding residue (residue number reindexed from 1): D113 Y114 P115
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.91: flavivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0003724 RNA helicase activity
• GO:0005524 ATP binding

External links

• PDB: RCSB:7h1n, PDBe:7h1n, PDBj:7h1n
• PDBsum: 7h1n
• UniProt: Q32ZE1|POLG_ZIKV Genome polyprotein