Structure of PDB 7h1u Chain B Binding Site BS01

Receptor Information
>7h1u Chain B (length=156) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKRE
Ligand information
Ligand IDA1AJR
InChIInChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
InChIKeyOALXTMWCXNPUKJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C1CNc2cccnc2C1
OpenEye OEToolkits 2.0.7c1cc2c(nc1)CCCN2
ACDLabs 12.01c1ccnc2CCCNc12
FormulaC8 H10 N2
Name1,2,3,4-tetrahydro-1,5-naphthyridine
ChEMBL
DrugBank
ZINC
PDB chain7h1u 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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PDB7h1u PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.37 Å
Binding residue
(original residue number in PDB)		Y130 S135 Y150 G151 Y161
Binding residue
(residue number reindexed from 1)		Y115 S120 Y135 G136 Y146
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:7h1u, PDBe:7h1u, PDBj:7h1u
PDBsum7h1u
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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