Structure of PDB 7ga0 Chain A Binding Site BS01

Receptor Information
>7ga0 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 IDZVE
InChIInChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1
InChIKeyZPUMPEAGLZCEBQ-SSDOTTSWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Cn1cc(nc1C1CNCCC1)C(F)(F)F
OpenEye OEToolkits 2.0.7Cn1cc(nc1C2CCCNC2)C(F)(F)F
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F
CACTVS 3.385Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F
FormulaC10 H14 F3 N3
Name(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
ChEMBL
DrugBank
ZINCZINC000238860517
PDB chain7ga0 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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PDB7ga0 PanDDA analysis group deposition
Resolution1.967 Å
Binding residue
(original residue number in PDB)		R560 F563 Y584 E586
Binding residue
(residue number reindexed from 1)		R378 F381 Y402 E404
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:7ga0, PDBe:7ga0, PDBj:7ga0
PDBsum7ga0
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

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