Structure of PDB 5f9h Chain C Binding Site BS03

Receptor Information
>5f9h Chain C (length=647) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKPRNYQLELALPAMKGKNTIICAPTGCGKTFVSLLICEHHLKKFPQGQK
GKVVFFANQIPVYEQQKSVFSKYFERHGYRVTGISGATAENVPVEQIVEN
NDIIILTPQILVNNLKKGTIPSLSIFTLMIFDECHNTSKQHPYNMIMFNY
LDQKLGGSSGPLPQVIGLTASVGVGDAKNTDEALDYICKLCASLDASVIA
TVKHNLEELEQVVYKPQKFFRKVESRISDKFKYIIAQLMRDTESLAKRIC
KDREFGTQKYEQWIVTVQKACMVFQMPDKDEESRICKALFLYTSHLRKYN
DALIISEHARMKDALDYLKDFFSNVRAAGFDEIEQDLTQRFEEKLQELES
VSRDPSNENPKLEDLCFILQEEYHLNPETITILFVKTRALVDALKNWIEG
NPKLSFLKPGILTGRGKASGDHNILIATSVADEGIDIAQCNLVILYEYVG
NVIKMIQTRGRGRARGSKCFLLTSNAGVIEKEQINMYKEKMMNDSILRLQ
TWDEAVFREKILHIQTHEKFIRDSVPDKENKKLLCRKCKALACYTADVRV
IEECHYTVLGDAFKECFVSRPHPKPKQFSSFEKRAKIFCARQNCSHDWGI
HVKYKTFEIPVIKIESFVVEDIATGVQTLYSKWKDFHFEKIPFDPAE
Ligand information
Ligand IDGTP
InChIInChI=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
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(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 3.370NC1=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 3.370NC1=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 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5f9h Chain D Residue 101 [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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PDB5f9h Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		H830 H847 F853 K858 K861 I875 K888
Binding residue
(residue number reindexed from 1)		H555 H572 F578 K583 K586 I600 K613
Annotation score3
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:5f9h, PDBe:5f9h, PDBj:5f9h
PDBsum5f9h
PubMed26733676
UniProtO95786|RIGI_HUMAN Antiviral innate immune response receptor RIG-I (Gene Name=RIGI)

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