Structure of PDB 7h2s Chain B Binding Site BS01

Receptor Information
>7h2s 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 IDA1AKC
InChIInChI=1S/C12H10F3N3O/c1-18-7-8(6-16-18)17-11(19)9-4-2-3-5-10(9)12(13,14)15/h2-7H,1H3,(H,17,19)
InChIKeyHJOQMJVPFXCEBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cn(C)nc1)c1ccccc1C(F)(F)F
OpenEye OEToolkits 2.0.7Cn1cc(cn1)NC(=O)c2ccccc2C(F)(F)F
CACTVS 3.385Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1
FormulaC12 H10 F3 N3 O
NameN-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain7h2s 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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PDB7h2s PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
Resolution1.57 Å
Binding residue
(original residue number in PDB)		H51 Y130 A132 S135 Y150 G151 Y161
Binding residue
(residue number reindexed from 1)		H36 Y115 A117 S120 Y135 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:7h2s, PDBe:7h2s, PDBj:7h2s
PDBsum7h2s
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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