Structure of PDB 7h1n Chain B Binding Site BS01

Receptor Information
>7h1n Chain B (length=154) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLD
PYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIF
KTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAIT
QGKR
Ligand information
Ligand IDU4C
InChIInChI=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-/m0/s1
InChIKeyABOZUPQQWCLVDB-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1Nc2ccccc2C[C]13CCCN3
ACDLabs 12.01O=C1Nc2ccccc2CC21CCCN2
CACTVS 3.385O=C1Nc2ccccc2C[C@@]13CCCN3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CC3(CCCN3)C(=O)N2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C[C@@]3(CCCN3)C(=O)N2
FormulaC12 H14 N2 O
Name(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
ChEMBL
DrugBank
ZINC
PDB chain7h1n Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7h1n PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.407 Å
Binding residue
(original residue number in PDB)
D129 Y130 A132 S135 G151 Y161
Binding residue
(residue number reindexed from 1)
D113 Y114 A116 S119 G135 Y145
Annotation score1
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

View graph for
Molecular Function
External links
PDB RCSB:7h1n, PDBe:7h1n, PDBj:7h1n
PDBsum7h1n
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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