Structure of PDB 5jc3 Chain B Binding Site BS03

Receptor Information
>5jc3 Chain B (length=661) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDLTLRDYQMEVAKPALNGENIIICLPTGSGKTRVAVYITKDHLDKKRKA
SEQGKVIVLVNKVPLVEQHLRKEFNPFLKHWYQVIGLSGDSELKISFPEV
VKRYDVIICTAQILENSLLNATEESVRLSDFSLIIIDQCHHTQKEGVYNN
IMRRYLKEKIKNRKQAKELIPQPQILGLTASPGVGGARSNSKAEEHILKI
CANLDACRIMTVKEHASQLKNQVKEPFKKTVIADDKRRDPFRERIIEIMQ
DIQKYCQLYPKSEFGSQPYEQWVIREERRAAKEEKRKERVCAEHLKKYND
ALQINDTIRMVDAYNHLNNFYKELKRRKTAESDDDSKQDETDEFLMRLFH
AKKKQLKELARKPEYDNEKLMKLRNTLMEEFTKTEEPRGIIFTKTRQSAL
ALYHWIMDNPKFEEVGIKAHFLIGAGHNSETKPMTQNEQREVIDKFRGGS
INLLIATTVAEEGLDIKECNIVIRYGLVTNEIAMVQARGRARADESTYAL
VASSGSGAVEREDVNIFRENMMYKAIRRVQEMPPEEYLNKIQDFQLQSIV
EKQMKAKRDQRITFLCKNCHKLICSGEDIQVIENMHHVSVKKDFQHLYHK
RENYQTNVEIICKDCGQVWGNMMVYRGLDLPCLKIRNFVVAFEDTKEIFK
KWGELPIIFPD
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 chain5jc3 Chain B Residue 1001 [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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PDB5jc3 Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R302 Q305 T324 G325 G327 K328 R330 E369 R798
Binding residue
(residue number reindexed from 1)		R6 Q9 T28 G29 G31 K32 R34 E73 R492
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:5jc3, PDBe:5jc3, PDBj:5jc3
PDBsum5jc3
PubMed27203181
UniProtD9N195

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