Structure of PDB 8jce Chain J Binding Site BS02

Receptor Information
>8jce Chain J (length=453) 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]
DPVYVDIDADSAFLKALQRAYPMFEVEPRQVTPNDAANARAFSHLAIKLI
EQEIDPDSTILDIGSAPARRMMSDRKYHCVCPMRSAEDPERLANYARKLA
SAAGKVLDRNISGKIGDLQAVMAVPDTETPTFCLHTDVSCRQRADVAIYQ
DVYAVHAPTSLYHQAIKGVRLAYWVGFDTTPFMYNAMAGAYPSYSTNWAD
EQVLKAKNIGLCSTDLTEGRRGKLSIMRGKKLEPCDRVLFSVGSTLYPES
RKLLKSWHLPSVFHLKGKLSFTCRCDTVVSCEGYVVKRITMSPGLYGKTT
GYAVTHHADGFLMCKTTDTVDGERVSFSVCTYVPATICDQMTGILATEVT
PEDAQKLLVGLNQRTNTMKNYMIPVVAQAFSKWAKECRKDMEDEKLLGVR
ERTWAFKKQKTHTVYKRPDTQSIQKVQAEFDSFVWSSGLSIPLRTRIKWL
LSK
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain8jce Chain J Residue 603 [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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PDB8jce Chikungunya virus Non-structural Protein 1 is a versatile RNA capping and decapping enzyme.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		G65 R70 P83 D89 D138
Binding residue
(residue number reindexed from 1)		G64 R69 P82 D88 D137
Annotation score5
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:8jce, PDBe:8jce, PDBj:8jce
PDBsum8jce
PubMed37918803
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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