Structure of PDB 7ga5 Chain A Binding Site BS01

Receptor Information
>7ga5 Chain A (length=435) Species: 64320 (Zika virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEM
EEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLN
IMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSP
IMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKR
VIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKP
VILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDE
GHAHWLEARMLLDNIYLQDGLIASLYRPEADKVAAIEGEFKLRTEQRKTF
VELMKRGDLPVWLAYQVASAGITYTDRRWCFDGTTNNTIMEDSVPAEVWT
KYGEKRVLKPRWMDARVCSDHAALKSFKEFAAGKR
Ligand information
Ligand IDZVN
InChIInChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyLLQMZXMBCQNMJV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(s2)N3CCNCC3
ACDLabs 12.01c1cccc2sc(nc12)N1CCNCC1
CACTVS 3.385C1CN(CCN1)c2sc3ccccc3n2
FormulaC11 H13 N3 S
Name2-(piperazin-1-yl)-1,3-benzothiazole
ChEMBLCHEMBL1702558
DrugBank
ZINCZINC000000242024
PDB chain7ga5 Chain A Residue 705 [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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PDB7ga5 PanDDA analysis group deposition
Resolution1.843 Å
Binding residue
(original residue number in PDB)		R242 M244 R269
Binding residue
(residue number reindexed from 1)		R60 M62 R87
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:0004386 helicase activity
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:7ga5, PDBe:7ga5, PDBj:7ga5
PDBsum7ga5
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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