Structure of PDB 6x80 Chain K Binding Site BS04

Receptor Information
>6x80 Chain K (length=574) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRINTNVAALNAKANSDLNAKSLDASLSRLSSGLRINSAADDASGMAIAD
SLRSQANTLGQAISNGNDALGILQTADKAMDEQLKILDTIKTKATQAAQD
GQSLKTRTMLQADINKLMEELDNIANTTSFNGKQLLSGNFTNQEFQIGAS
SNQTVKATIGATQSSKIGVTRFETGAQSFTSGVVGLTIKNYNGIEDFKFD
NVVISTSVGTGLGALAEEINKSADKTGVRATYDVKTTGVYAIKEGTTSQD
FAINGVTIGKIEYKDGDGNGSLISAINAVKDTTGVQASKDENGKLVLTSA
DGRGIKITGDIGVGSGILANQKENYGRLSLVKNDGRDINISGTNLSAIGM
GTTDMISQSSVSLRESKGQISATNADAMGFNSYKGGGKFVFTQNVSSISA
FMSAQGSGFSRGSGFSVGSGKNLSVGLSQGIQIISSAASMSNTYVVSAGS
GFSSGSGNSQFAALKTTAANTTDETAGVTTLKGAMAVMDIAETAITNLDQ
IRADIASIQNQVTSTINNITVTQVNVKAAESQIRDVDFASESANYSKANI
LAQSGSYAMAQANSSQQNVLRLLQ
Ligand information
Ligand IDP8E
InChIInChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1
InChIKeyZFZFJUIKYIVPNP-YXGHPGITSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O
OpenEye OEToolkits 2.0.7C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O
ACDLabs 12.01CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N
CACTVS 3.385C[C@H](O)[C@H](N)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1N)C(O)=O
CACTVS 3.385C[CH](O)[CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O
FormulaC9 H18 N2 O6
Name5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
ChEMBL
DrugBank
ZINC
PDB chain6x80 Chain K Residue 608 [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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PDB6x80 Atomic structure of the Campylobacter jejuni flagellar filament reveals how epsilon Proteobacteria escaped Toll-like receptor 5 surveillance.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		R413 S418 V419 G420 S421
Binding residue
(residue number reindexed from 1)		R411 S416 V417 G418 S419
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005198 structural molecule activity
Cellular Component
GO:0005576 extracellular region
GO:0009288 bacterial-type flagellum

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6x80, PDBe:6x80, PDBj:6x80
PDBsum6x80
PubMed32641510
UniProtP22251|FLA_CAMJ8 Flagellin A (Gene Name=flaA)

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