Structure of PDB 7jl3 Chain E Binding Site BS03

Receptor Information
>7jl3 Chain E (length=650) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPFKPRNYQLELALPAMKGKNTIICAPTGCGKTFVSLLICEHHLKKFPQG
QKGKVVFFANQIPVYEQQKSVFSKYFERHGYRVTGISGATAENVPVEQIV
ENNDIIILTPQILVNNLKKGTIPSLSIFTLMIFDECHNTSKQHPYNMIMF
NYLDQKLGGGPLPQVIGLTASVGVGDAKNTDEALDYICKLCASLDASVIA
TVKHNLEELEQVVYKPQKFFRKVESRISDKFKYIIAQLMRDTESLAKRIC
KDLENLSQIQNREFGTQKYEQWIVTVQKACMVFQMPKDEESRICKALFLY
TSHLRKYNDALIISEHARMKDALDYLKDFFSNVEIEQDLTQRFEEKLQEL
ESVSRDPSNENPKLEDLCFILQEEYHLNPETITILFVKTRALVDALKNWI
EGNPKLSFLKPGILTGRGGMTLPAQKCILDAFKGDHNILIATSVADEGID
IAQCNLVILYEYVGNVIKMIQTRGRGRARGSKCFLLTSNAGVIEKEQINM
YKEKMMNDSILRLQTWDEAVFREKILHIQTHEKFIRDSQEKENKKLLCRK
CKALACYTADVRVIEECHYTVLGDAFKECFVSRPHPKPKKRAKIFCARQN
CSHDWGIHVKYKTFEIPVIKIESFVVEDIATGVQTLYSKWKDFHFEKIPF
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 chain7jl3 Chain E Residue 2001 [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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PDB7jl3 Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		F241 R244 T266 G267 G269 K270 T271 D705 R732
Binding residue
(residue number reindexed from 1)		F3 R6 T28 G29 G31 K32 T33 D450 R477
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:7jl3, PDBe:7jl3, PDBj:7jl3
PDBsum7jl3
PubMed33373584
UniProtO95786|RIGI_HUMAN Antiviral innate immune response receptor RIG-I (Gene Name=RIGI)

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