Structure of PDB 8dvr Chain A Binding Site BS03
Receptor Information
>8dvr Chain A (length=635) Species:
9606
(Homo sapiens) [
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KPRNYQLELALPAMKGKNTIICAPTGCGKTFVSLLICEHHLKKFPQGQKG
KVVFFANQIPVYEQQKSVFSKYFERHGYRVTGISGATAENVPVEQIVENN
DIIILTPQILVNNLKKGTIPSLSIFTLMIFDECHNTSKQHPYNMIMFNYL
DQKLGGSSGPLPQVIGLTASVGVGDAKNTDEALDYICKLCASLDASVIAT
VKHNLEELEQVVYKPQKFFRKVESRISDKFKYIIAQLMRDTESLAKRICK
DLENLSQIQNREFGTQKYEQWIVTVQKACMVFQMPDKDEESRICKALFLY
TSHLRKYNDALIISEHARMKDALDYLKDFFSNVRAAGFDEIEQDLTQRFE
EKLQELESVSRDPSNENPKLEDLCFILQEEYHLNPETITILFVKTRALVD
ALKNWIEGNPKLSFLKPGILDHNILIATSVAQCNLVILYEYVGRARGSKC
FLLTSNAGVIEKEQINMYKEKMMNDSILRLQTWDEAVFREKILHIQTHEK
FIRDSQEKPKPVPDKENKKLLCRKCKALACYTADVRVIEECHYTVLGDAF
KECFVSRPHPKPKQFSSFEKRAKIFCARQNCSHDWGIHVKYKTFEIPVIK
IESFVVEDIATGVQTLYSKWKDFHFEKIPFDPAEM
Ligand information
Ligand ID
GTP
InChI
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey
XKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
Formula
C10 H16 N5 O14 P3
Name
GUANOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL1233147
DrugBank
DB04137
ZINC
ZINC000060094177
PDB chain
8dvr Chain B Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
8dvr
The RIG-I receptor adopts two different conformations for distinguishing host from viral RNA ligands.
Resolution
3.3 Å
Binding residue
(original residue number in PDB)
H830 F853 K861 I875 K888
Binding residue
(residue number reindexed from 1)
H542 F565 K573 I587 K600
Annotation score
3
Enzymatic activity
Enzyme Commision number
3.6.4.13
: RNA helicase.
Gene Ontology
Molecular Function
GO:0003676
nucleic acid binding
GO:0003690
double-stranded DNA binding
GO:0003723
RNA binding
GO:0003724
RNA helicase activity
GO:0003725
double-stranded RNA binding
GO:0003727
single-stranded RNA binding
GO:0004386
helicase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0005525
GTP binding
GO:0008270
zinc ion binding
GO:0016787
hydrolase activity
GO:0016887
ATP hydrolysis activity
GO:0031625
ubiquitin protein ligase binding
GO:0038187
pattern recognition receptor activity
GO:0042802
identical protein binding
GO:0046872
metal ion binding
Biological Process
GO:0002230
positive regulation of defense response to virus by host
GO:0002376
immune system process
GO:0002735
positive regulation of myeloid dendritic cell cytokine production
GO:0002753
cytoplasmic pattern recognition receptor signaling pathway
GO:0009597
detection of virus
GO:0009615
response to virus
GO:0010467
gene expression
GO:0010628
positive regulation of gene expression
GO:0030334
regulation of cell migration
GO:0032725
positive regulation of granulocyte macrophage colony-stimulating factor production
GO:0032727
positive regulation of interferon-alpha production
GO:0032728
positive regulation of interferon-beta production
GO:0032755
positive regulation of interleukin-6 production
GO:0032757
positive regulation of interleukin-8 production
GO:0032760
positive regulation of tumor necrosis factor production
GO:0034344
regulation of type III interferon production
GO:0039529
RIG-I signaling pathway
GO:0043330
response to exogenous dsRNA
GO:0045087
innate immune response
GO:0045944
positive regulation of transcription by RNA polymerase II
GO:0051607
defense response to virus
GO:0060760
positive regulation of response to cytokine stimulus
GO:0071360
cellular response to exogenous dsRNA
GO:0140374
antiviral innate immune response
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0005856
cytoskeleton
GO:0005886
plasma membrane
GO:0005923
bicellular tight junction
GO:0015629
actin cytoskeleton
GO:0032587
ruffle membrane
GO:0042995
cell projection
GO:1990904
ribonucleoprotein complex
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8dvr
,
PDBe:8dvr
,
PDBj:8dvr
PDBsum
8dvr
PubMed
36272408
UniProt
O95786
|RIGI_HUMAN Antiviral innate immune response receptor RIG-I (Gene Name=RIGI)
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