Structure of PDB 3j0a Chain B Binding Site BS01

Receptor Information
>3j0a Chain B (length=632) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCSFDGRIAFYRFCNLTQVPQVLNTTERLLLSFNYIRTVTASSFPFLEQL
QLLELGSQYTPLTIDKEAFRNLPNLRILDLGSSKIYFLHPDAFQGLFHLF
ELRLYFCGLSDAVLKDGYFRNLKALTRLDLSKNQIRSLYLHPSFGKLNSL
KSIDFSSNQIFLVCEHELEPLQGKTLSFFSLAANSLYSRVSVDWGKCMNP
FRNMVLEILDVSGNGWTVDITGNFSNAISKSQAFSLILAHHIMGAGFGFH
NIKDPDQNTFAGLARSSVRHLDLSHGFVFSLNSRVFETLKDLKVLNLAYN
KINKIADEAFYGLDNLQVLNLSYNLLGELYSSNFYGLPKVAYIDLQKNHI
AIIQDQTFKFLEKLQTLDLRDNALTTIHFIPSIPDIFLSGNKLVTLPKIN
LTANLIHLSENRLENLDILYFLLRVPHLQILILNQNRFSSCSGDQTPSEN
PSLEQLFLGENMLQLAWETELCWDVFEGLSHLQVLYLNHNYLNSLPPGVF
SHLTALRGLSLNSNRLTVLSHNDLPANLEILDISRNQLLAPNPDVFVSLS
VLDITHNKFICECELSTFINWLNHTNVTIAGPPADIYCVYPDSFSGVSLF
SLSTEGCFSLFIVCTVTLTLFLMTILTVTKFR
Ligand information
Ligand IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain3j0a Chain O Residue 2 [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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PDB3j0a Toll-like receptor 5 forms asymmetric dimers in the absence of flagellin.
Resolution26.0 Å
Binding residue
(original residue number in PDB)		N592 H596
Binding residue
(residue number reindexed from 1)		N570 H574
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005149 interleukin-1 receptor binding
GO:0005515 protein binding
GO:0038023 signaling receptor activity
GO:0038187 pattern recognition receptor activity
Biological Process
GO:0002224 toll-like receptor signaling pathway
GO:0006954 inflammatory response
GO:0006955 immune response
GO:0007165 signal transduction
GO:0032757 positive regulation of interleukin-8 production
GO:0034146 toll-like receptor 5 signaling pathway
GO:0045087 innate immune response
GO:0071260 cellular response to mechanical stimulus
Cellular Component
GO:0005886 plasma membrane
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:3j0a, PDBe:3j0a, PDBj:3j0a
PDBsum3j0a
PubMed22173220
UniProtO60602|TLR5_HUMAN Toll-like receptor 5 (Gene Name=TLR5)

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