Structure of PDB 6g19 Chain A Binding Site BS04

Receptor Information
>6g19 Chain A (length=682) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQLRPYQMEVAQPALDGKNIIICLPTGSGKTRVAVYITKDHLDKKKQASE
SGKVIVLVNKVMLAEQLFRKEFNPYLKKWYRIIGLSGDTQLKISFPEVVK
SYDVIISTAQILENSLLNLESGDDDGVQLSDFSLIIIDECHHTNKEAVYN
NIMRRYLKQKLRNNDLKKAIPLPQILGLTASPGVGAAKKQSEAEKHILNI
CANLDAFTIKTVKENLGQLKHQIKEPCKKFVIADDTRENPFKEKLLEIMA
SIQTYCQKSPMSDFGTQHYEQWAIQMEKKAAKDGNRKDRVCAEHLRKYNE
ALQINDTIRMIDAYSHLETFYTDEKEKKFAVLNKLDETDEFLMNLFFDNK
KMLKKLAENPKYENEKLIKLRNTILEQFTRSEESSRGIIFTKTRQSTYAL
SQWIMENAKFAEVGVKAHHLIGAGHSSEVKPMTQTEQKEVISKFRTGEIN
LLIATTVAEEGLDIKECNIVIRYGLVTNEIAMVQARGRARADESTYVLVT
SSGSGVTEREIVNDFREKMMYKAINRVQNMKPEEYAHKILELQVQSILEK
KMKVKRSIAKQYNDNPSLITLLCKNCSMLVCSGENIHVIEKMHHVNMTPE
FKGLYIVRENKALQKYQTNGEIICKCGQAWGTMMVHKGLDLPCLKIRNFV
VNFKNNSPKKQYKKWVELPIRFPDLDYSEYCL
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain6g19 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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PDB6g19 Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Resolution3.68 Å
Binding residue
(original residue number in PDB)		Q308 R310 T332 G333 G335 K336 T337 R338
Binding residue
(residue number reindexed from 1)		Q2 R4 T26 G27 G29 K30 T31 R32
Annotation score3
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:6g19, PDBe:6g19, PDBj:6g19
PDBsum6g19
PubMed30449722
UniProtQ8R5F7|IFIH1_MOUSE Interferon-induced helicase C domain-containing protein 1 (Gene Name=Ifih1)

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