Structure of PDB 7bkp Chain A Binding Site BS04

Receptor Information
>7bkp Chain A (length=689) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQLRPYQMEVAQPALDGKNIIICLPTGSGKTRVAVYITKDHLDKKKQASE
SGKVIVLVNKVMLAEQLFRKEFNPYLKKWYRIIGLSGDTQLKISFPEVVK
SYDVIISTAQILENSLLNLESGDDDGVQLSDFSLIIIDECHHTNKEAVYN
NIMRRYLKQKLRNNDLKKQNKPAIPLPQILGLTASPGVGAAKKQSEAEKH
ILNICANLDAFTIKTVKENLGQLKHQIKEPCKKFVIADDTRENPFKEKLL
EIMASIQTYCQKSPMSDFGTQHYEQWAIQMEKKAAKDGNRKDRVCAEHLR
KYNEALQINDTIRMIDAYSHLETFYTDEKEKKFAVLNDSSLKLDETDEFL
MNLFFDNKKMLKKLAENPKYENEKLIKLRNTILEQFTRSEESSRGIIFTK
TRQSTYALSQWIMENAKFAEVGVKAHHLIGAGHSSEVKPMTQTEQKEVIS
KFRTGEINLLIATTVAEEGLDIKECNIVIRYGLVTNEIAMVQARGRARAD
ESTYVLVTSSGSGVTEREIVNDFREKMKYKAINRVQNMKPEEYAHKILEL
QVQSILEKKMKVKRSIAYNDNPSLITLLCKNCSMLVCSGENIHVIEKMHH
VNMTPEFKGLYIVRENKALQKDYQTNGEIICKCGQAWGTMMVHKGLDLPC
LKIRNFVVNFKNNSPKKQYKKWVELPIRFPDLDYSEYCL
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(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)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7bkp Chain A Residue 1102 [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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PDB7bkp MDA5 disease variant M854K prevents ATP-dependent structural discrimination of viral and cellular RNA.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R310 G333 G335 K336 T337 R338
Binding residue
(residue number reindexed from 1)		R4 G27 G29 K30 T31 R32
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0003725 double-stranded RNA binding
GO:0003727 single-stranded RNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0019904 protein domain specific binding
GO:0038187 pattern recognition receptor activity
GO:0042802 identical protein binding
GO:0043021 ribonucleoprotein complex binding
GO:0046872 metal ion binding
Biological Process
GO:0002376 immune system process
GO:0009615 response to virus
GO:0016925 protein sumoylation
GO:0032727 positive regulation of interferon-alpha production
GO:0032728 positive regulation of interferon-beta production
GO:0032755 positive regulation of interleukin-6 production
GO:0032760 positive regulation of tumor necrosis factor production
GO:0039530 MDA-5 signaling pathway
GO:0045071 negative regulation of viral genome replication
GO:0045087 innate immune response
GO:0051259 protein complex oligomerization
GO:0051607 defense response to virus
GO:0060337 type I interferon-mediated signaling pathway
GO:0060760 positive regulation of response to cytokine stimulus
GO:0071360 cellular response to exogenous dsRNA
GO:0098586 cellular response to virus
GO:0140374 antiviral innate immune response
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7bkp, PDBe:7bkp, PDBj:7bkp
PDBsum7bkp
PubMed34795277
UniProtQ8R5F7|IFIH1_MOUSE Interferon-induced helicase C domain-containing protein 1 (Gene Name=Ifih1)

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