Structure of PDB 4a36 Chain A Binding Site BS03

Receptor Information
>4a36 Chain A (length=523) Species: 8839 (Anas platyrhynchos) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKARSYQIELAQPAINGKNALICAPTGSGKTFVSILICEHHFQNMPAGRK
AKVVFLATKVPVYEQQKNVFKHHFERQGYSVQGISGENFSNVSVEKVIED
SDIIVVTPQILVNSFEDGTLTSLSIFTLMIFDECHNTTGNHPYNVLMTRY
LEQKFNSASQLPQILGLTASVGVGNAKNIEETIEHICSLCSYLDIQAIST
VRENIQELQRFMNKPEIDVRLVKRRIHNPFAAIISNLMSETEALMRTIFG
TQNYEHWIVVTQRKCREEESRICRALFICTEHLRKYNDALIISEDARIID
ALSYLTEFFTNVKNGPYTELEQHLTAKFQEKEPELIALSKDETNENPKLE
ELVCILDDAYRYNPQTRTLLFAKTRALVSALKKCMEENPILNYIKPGVLM
GRGMTLPSQKGVLDAFKTSKDNRLLIATSVADEGIDIVQCNLVVLYEYSG
NVTKMIQVRGRGRAAGSKCILVTSKTEVVENEKCNRYKEEMMNKAVEKIQ
KWDEETFAKKIHNLQMKERVLRD
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 chain4a36 Chain A Residue 1794 [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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PDB4a36 Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		K244 K245 R247 Q250 G270 G272 K273 T274 F275 D706 R733
Binding residue
(residue number reindexed from 1)		K1 K2 R4 Q7 G27 G29 K30 T31 F32 D436 R463
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:4a36, PDBe:4a36, PDBj:4a36
PDBsum4a36
PubMed22000019
UniProtD3TI84

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