Structure of PDB 7h1q Chain B Binding Site BS01

Receptor Information
>7h1q Chain B (length=155) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKR
Ligand information
Ligand IDA1AJO
InChIInChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyXMLRXJVRTGHHIJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Nc1nnc([NH]1)c1cccs1
OpenEye OEToolkits 2.0.7c1cc(sc1)c2[nH]c(nn2)N
CACTVS 3.385Nc1[nH]c(nn1)c2sccc2
FormulaC6 H6 N4 S
Name5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine
ChEMBL
DrugBank
ZINC
PDB chain7h1q Chain B Residue 203 [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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PDB7h1q PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.411 Å
Binding residue
(original residue number in PDB)		D129 Y130 Y150 Y161
Binding residue
(residue number reindexed from 1)		D114 Y115 Y135 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:7h1q, PDBe:7h1q, PDBj:7h1q
PDBsum7h1q
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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