Structure of PDB 8axv Chain I Binding Site BS02

Receptor Information
>8axv Chain I (length=429) Species: 371094 (Chikungunya virus strain S27-African prototype) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVYVDIDADSAFLKALQRAYPMFEVEPRQVTPNDHANARAFSHLAIKLIE
QEIDPDSTILDIGSAPARRMMSDRKYHCVCPMRSAEDPERLANYARKLAS
AAGKVLDRNISGKIGDLQAVMAVPDTETPTFCLHTDVSCRQRADVAIYQD
VYAVHAPTSLYHQAIKGVRLAYWVGFDTTPFMYNAMAGAYPSYSTNWADE
QVLKAKNIGLCSTDLTEGRGKKLEPCDRVLFSVGSTLYPESRKLLKSWHL
PSVFHLKGKLSFTCRCDTVVSCEGYVVKRITMSPGLYGKTTGYAVTHHAD
GFLMCKTTDTVDGERVSFSVCTYVPATICDQMTGILATEVTPEDAQKLLV
GLNQTNTMKNYMIPVVAQAFSKWAKECRKDMEDEKLLGVREFKKQKTHTV
YKRPDTQSIQKVQAEFDSGLSIPLRTRIK
Ligand information
Ligand IDMY6
InChIInChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChIKeyFZWGECJQACGGTI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cn1cnc2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.7.0Cn1cnc2c1C(=O)NC(=N2)N
ACDLabs 12.01O=C1c2c(N=C(N1)N)ncn2C
FormulaC6 H7 N5 O
Name2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
ChEMBL
DrugBank
ZINCZINC000008613011
PDB chain8axv Chain I Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8axv Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D152 Y154 F241 Y248 E250
Binding residue
(residue number reindexed from 1)		D150 Y152 F231 Y238 E240
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.7.7.-
2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.48: RNA-directed RNA polymerase.
3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.1.74: mRNA 5'-phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008174 mRNA methyltransferase activity
Biological Process
GO:0006396 RNA processing
GO:0016556 mRNA modification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8axv, PDBe:8axv, PDBj:8axv
PDBsum8axv
PubMed36913573
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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