Structure of PDB 5az5 Chain D Binding Site BS01

Receptor Information
>5az5 Chain D (length=746) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRSYPCDEKKVIAECSNRRLQEVPQTVGKYVTELDLSDNFITHITNESFQ
GLQNLTKINLNHNPNVGLNITDGAFLNLKNLRELLLEDNQLPQIPSGLPE
SLTELSLIQNNIYNITKEGISRLINLKNLYLAWNCYFNKVCEKTNIEDGV
FETLTNLELLSLSFNSLSHVPPKLPSSLRKLFLSNTQIKYISEEDFKGLI
NLTLLDLSGNCPRCFNAPFPCVPCDGGASINIDRFAFQNLTQLRYLNLSS
TSLRKINAAWFKNMPHLKVLDLEFNYLVGEIASGAFLTMLPRLEILDLSF
NYIKGSYPQHINISRNFSKLLSLRALHLRGYVFQELREDDFQPLMQLPNL
STINLGINFIKQIDFKLFQNFSNLEIIYLSENRISPTDFEFDPHSNFYHF
TRPLIKPQCAAYGKALDLSLNSIFFIGPNQFENLPDIACLNLSANSNAQV
LSGTEFSAIPHVKYLDLTNNRLDFDNASALTELSDLEVLDLSYNSHYFRI
AGVTHHLEFIQNFTNLKVLNLSHNNIYTLTDKYNLESKSLVELVFSGNRL
DILWNDDDNRYISIFKGLKNLTRLDLSLNRLKHIPNEAFLNLPASLTELH
INDNMLKFFNWTLLQQFPRLELLDLRGNKLLFLTDSLSDFTSSLRTLLLS
HNRISHLPSGFLSEVSSLKHLDLSSNLLKTINKSALETKTTTKLSMLELH
GNPFECTCDIGDFRRWMDEHLNVKIPRLVDVICASPGDQRGKSIVS
Ligand information
Ligand IDMBL
InChIInChI=1S/C14H19N3/c1-2-3-7-10-17-11-13(16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16)
InChIKeyNTJHSIKKNQRLPN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCn1cc(nc1N)c2ccccc2
FormulaC14 H19 N3
Name1-pentyl-4-phenyl-imidazol-2-amine
ChEMBLCHEMBL4803538
DrugBank
ZINCZINC000584905619
PDB chain5az5 Chain C 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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PDB5az5 Crystal structure of human TLR8 in complex with MB-343
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D543 D545 T574
Binding residue
(residue number reindexed from 1)		D473 D475 T504
Annotation score1
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:5az5, PDBe:5az5, PDBj:5az5
PDBsum5az5
PubMed
UniProtQ9NR97|TLR8_HUMAN Toll-like receptor 8 (Gene Name=TLR8)

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