Structure of PDB 7jl2 Chain E Binding Site BS04

Receptor Information
>7jl2 Chain E (length=662) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELQLRPYQMEVAQPALEGKNIIICLPTGSGKTRVAVYIAKDHLDKKKKAS
EPGKVIVLVNKVLLVEQLFRKEFQPFLKKWYRVIGLSGDTQLKISFPEVV
KSCDIIISTAQILENSLLNLAGVQLSDFSLIIIDECHHTNKEAVYNNIMR
HYLMQKLKNNRLKKVIPLPQILGLTASPGVGGATKQAKAEEHILKLCANL
DAFTIKTVKENLDQLKNQIQEPCKKFAIADREDPFKEKLLEIMTRIQTYC
QMSPMSDFGTQPYEQWAIQMEKKAAKEGNRKERVCAEHLRKYNEALQIND
TIRMIDAYTHLETFYNEEKDKKFAVIEETDRFLMTLFFENNKMLKRLAEN
PEYENEKLTKLRNTIMEQYTRTEESARGIIFTKTRQSAYALSQWITENEK
FAEVGVKAHHLIGAGSSEFKPMTQNEQKEVISKFRTGKINLLIATTVAEE
GLDIKECNIVIRYGLVTNEIAMVQARGRARADESTYVLVAHSGSGVIERE
TVNDFREKMMYKAIHCVQNMKPEEYAHKILELQMQSIMEKKMKTKRNIAK
HYNNPSLITFLCKNCSVLACSGEDIHVIEKMHHVNMTPEFKELYIVREKQ
INGEIICKCGQAWGTMMVHKGLDLPCLKIRNFVVVFKNNSTKKQYKKWVE
LPITFPNLDYSE
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 chain7jl2 Chain E 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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PDB7jl2 Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		R309 G334 K335 T336 R337 D797 K799 R824
Binding residue
(residue number reindexed from 1)		R5 G30 K31 T32 R33 D453 K455 R480
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:7jl2, PDBe:7jl2, PDBj:7jl2
PDBsum7jl2
PubMed33373584
UniProtQ9BYX4|IFIH1_HUMAN Interferon-induced helicase C domain-containing protein 1 (Gene Name=IFIH1)

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