Structure of PDB 5f98 Chain I Binding Site BS03

Receptor Information
>5f98 Chain I (length=647) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFKPRNYQLELALPAMKGKNTIICAPTGCGKTFVSLLICEHHLKKFPQGQ
KGKVVFFANQIPVYEQQKSVFSKYFERHGYRVTGISGATAENVPVEQIVE
NNDIIILTPQILVNNLKKGTIPSLSIFTLMIFDECHNTSKQHPYNMIMFN
YLDQKLGGSSGPLPQVIGLTASVGVGDAKNTDEALDYICKLCASLDASVI
ATVKHNLEELEQVVYKPQKFFRKVESRISDKFKYIIAQLMRDTESLAKRI
CKDLENNREFGTQKYEQWIVTVQKACMVFQMPDKDEESRICKALFLYTSH
LRKYNDALIISEHARMKDALDYLKDFFSNVRAAGFDEIEQDLTQRFEEKL
QELESVSRDPSNENPKLEDLCFILQEEYHLNPETITILFVKTRALVDALK
NWIEGNPKLSFLKPGILTDHNILIATSVADEGIDIAQCNLVILYEYVGNV
IKMIQTRGRGRARGSKCFLLTSNAGVIEKEQINMYKEKMMNDSILRLQTW
DEAVFREKILHIQTHEKFIRDSQPVPDKENKKLLCRKCKALACYTADVRV
IEECHYTVLGDAFKECFVSRPHPKPKQFSSFEKRAKIFCARQNCSHDWGI
HVKYKTFEIPVIKIESFVVEDIATGVQTLYSKWKDFHFEKIPFDPAE
Ligand information
Ligand IDM7G
InChIInChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
InChIKeySBASPRRECYVBRF-KQYNXXCUSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
OpenEye OEToolkits 2.0.7C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.385C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
CACTVS 3.385C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
FormulaC11 H18 N5 O11 P2
Name7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
ChEMBL
DrugBankDB01960
ZINCZINC000013548083
PDB chain5f98 Chain J 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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PDB5f98 Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Resolution3.28 Å
Binding residue
(original residue number in PDB)		H847 K858 K861 I875
Binding residue
(residue number reindexed from 1)		H572 K583 K586 I600
Annotation score2
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:5f98, PDBe:5f98, PDBj:5f98
PDBsum5f98
PubMed26733676
UniProtO95786|RIGI_HUMAN Antiviral innate immune response receptor RIG-I (Gene Name=RIGI)

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