Structure of PDB 4r08 Chain B Binding Site BS01

Receptor Information
>4r08 Chain B (length=737) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSYPCDEKKVIAECSNRRLQEVPQTVGKYVTELDLSDNFITHITNESFQG
LQNLTKINLNHNPNVGLNITDGAFLNLKNLRELLLEDNQLPQIPSGLPES
LTELSLIQNNIYNITKEGISRLINLKNLYLAWNCYFNKVCEKTNIEDGVF
ETLTNLELLSLSFNSLSHVPPKLPSSLRKLFLSNTQIKYISEEDFKGLIN
LTLLDLSGNCPRCFNAPFPCVPCDGGASINIDRFAFQNLTQLRYLNLSST
SLRKINAAWFKNMPHLKVLDLEFNYLVGEIASGAFLTMLPRLEILDLSFN
YIKGSYPQHINISRNFSKLLSLRALHLRGYVFQELREDDFQPLMQLPNLS
TINLGINFIKQIDFKLFQNFSNLEIIYLSENRISPFEFDPHSNFYHFTRP
LIKPQCAAYGKALDLSLNSIFFIGPNQFENLPDIACLNLSANSNAQVLSG
TEFSAIPHVKYLDLTNNRLDFDNASALTELSDLEVLDLSYNSHYFRIAGV
THHLEFIQNFTNLKVLNLSHNNIYTLTDKYNLESKSLVELVFSGNRLDIL
WNDDDNRYISIFKGLKNLTRLDLSLNRLKHIPNEAFLNLPASLTELHIND
NMLKFFNWTLLQQFPRLELLDLRGNKLLFLTDSLSDFTSSLRTLLLSHNR
ISHLPSGFLSEVSSLKHLDLSSNLLKTINKSAKLSMLELHGNPFECTCDI
GDFRRWMDEHLNVKIPRLVDVICASPGDQRGKSIVSL
Ligand information
Ligand IDURI
InChIInChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKeyDRTQHJPVMGBUCF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H12 N2 O6
NameURIDINE
ChEMBLCHEMBL100259
DrugBankDB02745
ZINCZINC000002583633
PDB chain4r08 Chain A Residue 901 [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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PDB4r08 Toll-like receptor 8 senses degradation products of single-stranded RNA.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D543 D545 V573 T574
Binding residue
(residue number reindexed from 1)		D470 D472 V500 T501
Annotation score4
Binding affinityMOAD: Kd=55uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
Biological Process
GO:0002224 toll-like receptor signaling pathway
GO:0006955 immune response
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4r08, PDBe:4r08, PDBj:4r08
PDBsum4r08
PubMed25599397
UniProtQ9NR97|TLR8_HUMAN Toll-like receptor 8 (Gene Name=TLR8)

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