Structure of PDB 5f9f Chain A Binding Site BS03

Receptor Information
>5f9f Chain A (length=673) 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
CKDLREFGTQKYEQWIVTVQKACMVFQMPDKDEESRICKALFLYTSHLRK
YNDALIISEHARMKDALDYLKDFFSNVRAAGFDEIEQDLTQRFEEKLQEL
ESVSRDPSNENPKLEDLCFILQEEYHLNPETITILFVKTRALVDALKNWI
EGNPKLSFLKPGILTGRGKTNQNTGMTLPAQKCILDAFKASGDHNILIAT
SVADEGIDIAQCNLVILYEYVGNVIKMIQTRGRGRARGSKCFLLTSNAGV
IEKEQINMYKEKMMNDSILRLQTWDEAVFREKILHIQTHEKFIRDSQPKP
VPDKENKKLLCRKCKALACYTADVRVIEECHYTVLGDAFKECFVSRPHPK
PKQFSSFEKRAKIFCARQNCSHDWGIHVKYKTFEIPVIKIESFVVEDIAT
GVQTLYSKWKDFHFEKIPFDPAE
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain5f9f Chain A Residue 1004 [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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PDB5f9f Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Resolution2.601 Å
Binding residue
(original residue number in PDB)		D550 T636
Binding residue
(residue number reindexed from 1)		D303 T389
Annotation score1
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:5f9f, PDBe:5f9f, PDBj:5f9f
PDBsum5f9f
PubMed26733676
UniProtO95786|RIGI_HUMAN Antiviral innate immune response receptor RIG-I (Gene Name=RIGI)

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