Structure of PDB 6jim Chain A Binding Site BS02

Receptor Information
>6jim Chain A (length=454) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIIETPRGAIKVTAQPTDHVVGEYLVLSPQTVLRSQKLSLIHALAEQVKT
CTHNGYDGRVLVPSGYAISPEDFQSLSESATMVYNEREFVNRKLHHIAMH
GPALNTDEESYELVRAERTEHEYVYDVDQRRCCKKEEAAGLVLVGDLTNP
PYHEFAYEGLKIRPACPYKIAVIGVFGVPGSGKSAIIKNLVTRQDLVTSG
KKENCQEITTDVMRQRGLEISARTVDSLLLNGCNRPVDVLYVDEAFACHS
GTLLALIALVRPRQKVVLCGDPKQCGFFNMMQMKVNYNHNICTQVYHKSI
SRRCTLPVTAIVSSLHYEGKMRTTNEYNKPIVVDTTGSTKPDPGDLVLTC
FRGWVKQLQIDYRGYEVMTAAASQGLTRKGVYAVRQKVNENPLYASTSEH
VNVLLTRTEGKLVWKTLSGDPWIKTLQNPPKGNFKATIKEWEVEHASIMA
GICS
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6jim Chain A Residue 2001 [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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PDB6jim Structural insights into RNA recognition by the Chikungunya virus nsP2 helicase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G189 G191 K192 S193 A194 R311 R312 T386 W450
Binding residue
(residue number reindexed from 1)		G180 G182 K183 S184 A185 R302 R303 T377 W441
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.1.74: mRNA 5'-phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6jim, PDBe:6jim, PDBj:6jim
PDBsum6jim
PubMed31000599
UniProtA0A076V769

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