Structure of PDB 7x01 Chain C Binding Site BS02

Receptor Information
>7x01 Chain C (length=421) 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]
DPVYVDIDADSAFLKALQRAYPMFEVEPRQVTPNDHANARAFSHLAIKLI
EQEIDPDSTILDIGSAPARRMMSDRKYHCVCPMRSAEDPERLANYARKLA
SAAGKVLDRNISGKIGDLQAVMAVPDTETPTFCLHTDVSCRQRADVAIYQ
DVYAVHAPTSLYHQAIKGVRLAYWVGFDTTPFMYNAMAGAYPSYSTNWAD
EQVLKAKNIGLCSTDLTEGRRGRGKKLEPCDRVLFSVGSTLYPESRKLLK
SWHLPSVFHLKGKLSFTCRCDTVVSCEGYVVKRITMSPGLYGKTTGYAVT
HHADGFLMCKTTDTVDGERVSFSVCTYVPATICDQMTGILATEVTPEDAQ
KLLVGLNNTMKNYMIPVVAQAFSKWAKECRKDMEDEKLLGVRERAFKKQK
THTVYKRPDTQSIQKVQAEFD
Ligand information
Ligand ID7XQ
InChIInChI=1S/C12H16FN5O3/c13-6-5(1-2-19)9(20)10(21)8(6)18-4-17-7-11(14)15-3-16-12(7)18/h3-6,8-10,19-21H,1-2H2,(H2,14,15,16)/t5-,6+,8+,9+,10-/m0/s1
InChIKeyBHBYBYPYUGVDDF-LUTUWXHWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(C3F)CCO)O)O)N
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H]([C@H]3F)CCO)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[C@H]3[C@H](O)[C@H](O)[C@@H](CCO)[C@H]3F
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3[CH](O)[CH](O)[CH](CCO)[CH]3F
FormulaC12 H16 F N5 O3
Name(1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol
ChEMBLCHEMBL4638533
DrugBank
ZINC
PDB chain7x01 Chain C Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7x01 Molecular basis of specific viral RNA recognition and 5'-end capping by the Chikungunya virus nsP1.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		D89 T137 D138
Binding residue
(residue number reindexed from 1)		D88 T136 D137
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:7x01, PDBe:7x01, PDBj:7x01
PDBsum7x01
PubMed35905713
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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