Structure of PDB 7h2n Chain B Binding Site BS01

Receptor Information
>7h2n 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 IDA1AJ9
InChIInChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyUWNRWWIRIZDKLH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccnc(n1)N2CCNCC2
ACDLabs 12.01COc1nc(ncc1)N1CCNCC1
FormulaC9 H14 N4 O
Name4-methoxy-2-(piperazin-1-yl)pyrimidine
ChEMBL
DrugBank
ZINC
PDB chain7h2n 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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PDB7h2n PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.73 Å
Binding residue
(original residue number in PDB)		D129 Y130 S135 G151 Y161
Binding residue
(residue number reindexed from 1)		D114 Y115 S120 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:7h2n, PDBe:7h2n, PDBj:7h2n
PDBsum7h2n
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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