Structure of PDB 7h2g Chain B Binding Site BS01

Receptor Information
>7h2g 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 IDZA9
InChIInChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
InChIKeyJWMGZQMVMZBMFM-SNVBAGLBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2cc[nH]c2c1)C3CCCNC3
CACTVS 3.385C1CNC[CH](C1)c2cccc3[nH]ccc23
CACTVS 3.385C1CNC[C@@H](C1)c2cccc3[nH]ccc23
OpenEye OEToolkits 2.0.7c1cc(c2cc[nH]c2c1)[C@@H]3CCCNC3
ACDLabs 12.01c1c[NH]c2cccc(c12)C1CCCNC1
FormulaC13 H16 N2
Name4-[(3S)-piperidin-3-yl]-1H-indole
ChEMBL
DrugBank
ZINCZINC000033884898
PDB chain7h2g 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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PDB7h2g PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.25 Å
Binding residue
(original residue number in PDB)		S135 G151 Y161
Binding residue
(residue number reindexed from 1)		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:7h2g, PDBe:7h2g, PDBj:7h2g
PDBsum7h2g
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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