Structure of PDB 7h22 Chain B Binding Site BS01

Receptor Information
>7h22 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 IDYX6
InChIInChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1
InChIKeyMTDCJLXPYPQTPX-ZCFIWIBFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(ncs1)C(=O)NC2CCC(=O)NC2
OpenEye OEToolkits 2.0.7c1c(ncs1)C(=O)N[C@@H]2CCC(=O)NC2
CACTVS 3.385O=C1CC[CH](CN1)NC(=O)c2cscn2
ACDLabs 12.01O=C(NC1CCC(=O)NC1)c1cscn1
CACTVS 3.385O=C1CC[C@H](CN1)NC(=O)c2cscn2
FormulaC9 H11 N3 O2 S
NameN-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7h22 Chain B Residue 204 [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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PDB7h22 PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.554 Å
Binding residue
(original residue number in PDB)		Y130 A132 S135 Y150 G151 V155 Y161
Binding residue
(residue number reindexed from 1)		Y115 A117 S120 Y135 G136 V140 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:7h22, PDBe:7h22, PDBj:7h22
PDBsum7h22
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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