Structure of PDB 7h1r Chain B Binding Site BS01

Receptor Information
>7h1r 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 IDA1AJP
InChIInChI=1S/C8H13N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,6,9H2,1-2H3
InChIKeyFVBLFJODKIHJMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CN(C)c1cc(CN)ccn1
OpenEye OEToolkits 2.0.7CN(C)c1cc(ccn1)CN
FormulaC8 H13 N3
Name4-(aminomethyl)-N,N-dimethylpyridin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain7h1r 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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PDB7h1r PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.521 Å
Binding residue
(original residue number in PDB)		Y130 Y161
Binding residue
(residue number reindexed from 1)		Y115 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:7h1r, PDBe:7h1r, PDBj:7h1r
PDBsum7h1r
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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