Structure of PDB 7g9u Chain A Binding Site BS01

Receptor Information
>7g9u 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 IDZV2
InChIInChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)
InChIKeyDBANAUMFACXVKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F
FormulaC11 H11 F N3 O S
Name2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
ChEMBL
DrugBank
ZINC
PDB chain7g9u 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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PDB7g9u PanDDA analysis group deposition
Resolution1.689 Å
Binding residue
(original residue number in PDB)		D421 N465 K466 P467 D469
Binding residue
(residue number reindexed from 1)		D239 N283 K284 P285 D287
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:7g9u, PDBe:7g9u, PDBj:7g9u
PDBsum7g9u
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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