Structure of PDB 5rhs Chain A Binding Site BS01

Receptor Information
>5rhs 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 IDNZ4
InChIInChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKeyGFGGXIIHWJXKMZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1cccc(c1)NC(=O)N2CCOCC2
ACDLabs 12.01N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O
CACTVS 3.385CC(=O)c1cccc(NC(=O)N2CCOCC2)c1
FormulaC13 H16 N2 O3
NameN-(3-acetylphenyl)morpholine-4-carboxamide
ChEMBLCHEMBL1584650
DrugBank
ZINCZINC000000032414
PDB chain5rhs 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5rhs PanDDA analysis group deposition
Resolution1.53 Å
Binding residue
(original residue number in PDB)		R242 M244 T245 H252 R269
Binding residue
(residue number reindexed from 1)		R60 M62 T63 H70 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:5rhs, PDBe:5rhs, PDBj:5rhs
PDBsum5rhs
PubMed
UniProtQ32ZE1|POLG_ZIKV Genome polyprotein

[Back to BioLiP]