Structure of PDB 3zd7 Chain A Binding Site BS04

Receptor Information
>3zd7 Chain A (length=623) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYSPFKPRNYQLELALPAMKGKNTIICAPTGCGKTFVSLLICEHHLKKF
PQGQKGKVVFFANQIPVYEQNKSVFSKYFERHGYRVTGISGATAVPVEQI
VENNDIIILTPQILVNNLKKGTIPSLSIFTLMIFDECHNTSKQHPYNMIM
FNYLDQKLGGSSGPLPQVIGLTASVGVGDAKNTDEALDYICKLCASLDAS
VIATVKHNLEELEQVVYKPQKFFRKVESRISDKFKYIIAQLMRDTESLAK
RICKDLENLSQSQNREFGTQKYEQWIVTVQKACMSRICKALFLYTSHLRK
YNDALIISEHARMKDALDYLKDFFSNVRAAGFDEIEQDLTQRFEEKLQEL
ESVSRDPSNENPKLEDLCFILQEEYHLNPETITILFVKTRALVDALKNWI
EGNPKLSFLKPGILTNILILTSVADEGIDIAQCNLVILYEYVGNARGSKC
FLLTSNAGVIEKEQINMYKEKMMNDSILRLQTWDEAVFREKILHIQTHEK
FIRDSKENKKLLCRKCKALACYTADVRVIEDCHYTVLGDAFKECFVSRPH
PKPKQFSSFEKRAKIFCARQNCSHDWGIHVKYKTFEIPVIKIESFVVEDT
GVQTLYSKWKDFHFEKIPFDPAE
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 chain3zd7 Chain A Residue 1924 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3zd7 Defining the Functional Determinants for RNA Surveillance by Rig-I.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		L237 K242 R244 Q247 T266 G267 C268 G269 K270 T271 F272
Binding residue
(residue number reindexed from 1)		L2 K7 R9 Q12 T31 G32 C33 G34 K35 T36 F37
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:3zd7, PDBe:3zd7, PDBj:3zd7
PDBsum3zd7
PubMed23897087
UniProtO95786|RIGI_HUMAN Antiviral innate immune response receptor RIG-I (Gene Name=RIGI)

[Back to BioLiP]