+
Open data
-
Basic information
| Entry | Database: PDB / ID: 3a79 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Title | Crystal structure of TLR2-TLR6-Pam2CSK4 complex | |||||||||
Components |
| |||||||||
Keywords | IMMUNE SYSTEM / Toll-like Receptor / diacyl lipopeptide / innate immunity / Leucine Rich Repeat / Cell membrane / Cytoplasmic vesicle / Disulfide bond / Glycoprotein / Immune response / Inflammatory response / LEUCINE-RICH REPEAT / Membrane / Receptor / Transmembrane / Phosphoprotein | |||||||||
| Function / homology | Function and homology informationdiacyl lipopeptide binding / Beta defensins / triacyl lipopeptide binding / positive regulation of neutrophil migration / Toll-like receptor 2-Toll-like receptor 6 protein complex / detection of diacyl bacterial lipopeptide / cellular response to diacyl bacterial lipopeptide / Toll-like receptor 1-Toll-like receptor 2 protein complex / detection of triacyl bacterial lipopeptide / cellular response to triacyl bacterial lipopeptide ...diacyl lipopeptide binding / Beta defensins / triacyl lipopeptide binding / positive regulation of neutrophil migration / Toll-like receptor 2-Toll-like receptor 6 protein complex / detection of diacyl bacterial lipopeptide / cellular response to diacyl bacterial lipopeptide / Toll-like receptor 1-Toll-like receptor 2 protein complex / detection of triacyl bacterial lipopeptide / cellular response to triacyl bacterial lipopeptide / cellular response to bacterial lipopeptide / negative regulation of synapse assembly / lipoteichoic acid binding / Regulation of TLR by endogenous ligand / response to molecule of fungal origin / negative regulation of toll-like receptor 2 signaling pathway / lipopeptide binding / response to peptidoglycan / regulation of dendritic cell cytokine production / Toll-like receptor 2 binding / positive regulation of xenophagy / positive regulation of interleukin-18 production / cellular response to oxidised low-density lipoprotein particle stimulus / toll-like receptor TLR6:TLR2 signaling pathway / xenophagy / negative regulation of actin filament polymerization / cell surface pattern recognition receptor signaling pathway / neutrophil migration / negative regulation of interleukin-8 production / cellular response to peptidoglycan / TRIF-dependent toll-like receptor signaling pathway / negative regulation of interleukin-12 production / NAD+ nucleosidase activity, cyclic ADP-ribose generating / positive regulation of macrophage activation / microglia development / negative regulation of interleukin-17 production / positive regulation of cytokine production involved in inflammatory response / positive regulation of leukocyte migration / positive regulation of synapse assembly / positive regulation of extrinsic apoptotic signaling pathway / positive regulation of macrophage cytokine production / MyD88-dependent toll-like receptor signaling pathway / negative regulation of phagocytosis / leukocyte migration / pattern recognition receptor activity / positive regulation of NLRP3 inflammasome complex assembly / positive regulation of reactive oxygen species biosynthetic process / cellular response to lipoteichoic acid / positive regulation of intracellular signal transduction / negative regulation of tumor necrosis factor production / positive regulation of chemokine production / nitric oxide metabolic process / ERK1 and ERK2 cascade / Neutrophil degranulation / nitric oxide biosynthetic process / positive regulation of interleukin-12 production / axonogenesis / positive regulation of interferon-beta production / positive regulation of cytokine production / positive regulation of interleukin-1 beta production / learning / response to bacterium / microglial cell activation / defense response / positive regulation of interleukin-6 production / phagocytic vesicle membrane / cellular response to amyloid-beta / positive regulation of inflammatory response / positive regulation of nitric oxide biosynthetic process / positive regulation of tumor necrosis factor production / transmembrane signaling receptor activity / amyloid-beta binding / positive regulation of ERK1 and ERK2 cascade / positive regulation of canonical NF-kappaB signal transduction / defense response to Gram-positive bacterium / membrane raft / inflammatory response / protein heterodimerization activity / innate immune response / external side of plasma membrane / positive regulation of gene expression / protein-containing complex binding / Golgi apparatus / positive regulation of transcription by RNA polymerase II / identical protein binding / membrane / plasma membrane Similarity search - Function | |||||||||
| Biological species | ![]() Eptatretus burgeri (inshore hagfish)synthetic construct (others) | |||||||||
| Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å | |||||||||
Authors | Kang, J.Y. / Jin, M.S. / Lee, J.-O. | |||||||||
Citation | Journal: Immunity / Year: 2009Title: Recognition of lipopeptide patterns by Toll-like receptor 2-Toll-like receptor 6 heterodimer Authors: Kang, J.Y. / Nan, X. / Jin, M.S. / Youn, S.-J. / Ryu, Y.H. / Mah, S. / Han, S.H. / Lee, H. / Paik, S.-G. / Lee, J.-O. | |||||||||
| History |
|
-
Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
|---|
-
Downloads & links
-
Download
| PDBx/mmCIF format | 3a79.cif.gz | 458.3 KB | Display | PDBx/mmCIF format |
|---|---|---|---|---|
| PDB format | pdb3a79.ent.gz | 378.9 KB | Display | PDB format |
| PDBx/mmJSON format | 3a79.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Summary document | 3a79_validation.pdf.gz | 2.3 MB | Display | wwPDB validaton report |
|---|---|---|---|---|
| Full document | 3a79_full_validation.pdf.gz | 2.4 MB | Display | |
| Data in XML | 3a79_validation.xml.gz | 45.2 KB | Display | |
| Data in CIF | 3a79_validation.cif.gz | 60.3 KB | Display | |
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a7/3a79 ftp://data.pdbj.org/pub/pdb/validation_reports/a7/3a79 | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 3a7bC ![]() 3a7cC ![]() 2o6rS ![]() 2z7xS ![]() 2z81S C: citing same article ( S: Starting model for refinement |
|---|---|
| Similar structure data |
-
Links
-
Assembly
| Deposited unit | ![]()
| ||||||||
|---|---|---|---|---|---|---|---|---|---|
| 1 |
| ||||||||
| Unit cell |
|
-
Components
-Toll-like receptor ... , 2 types, 2 molecules AB
| #1: Protein | Mass: 65535.309 Da / Num. of mol.: 1 Fragment: extracellular domain, UNP residues 1-506(mouse), UNP residues 133-200(Inshore hagfish) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Eptatretus burgeri (inshore hagfish)Gene: Tlr2 / Plasmid: PVL1393 / Production host: TRICHOPLUSIA NI (cabbage looper) / Strain (production host): Hi-5 / References: UniProt: Q9QUN7, UniProt: Q4G1L2 |
|---|---|
| #2: Protein | Mass: 63785.551 Da / Num. of mol.: 1 Fragment: extracellular domain, UNP residues 1-482(mouse), UNP residues 157-232(Inshore hagfish) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Eptatretus burgeri (inshore hagfish)Gene: Tlr6 / Plasmid: PVL1393 / Production host: TRICHOPLUSIA NI (cabbage looper) / Strain (production host): Hi-5 / References: UniProt: Q9EPW9, UniProt: Q4G1L3 |
-Protein/peptide / Non-polymers , 2 types, 2 molecules C

| #3: Protein/peptide | Mass: 724.955 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: synthetic peptide / Source: (synth.) synthetic construct (others) |
|---|---|
| #7: Chemical | ChemComp-PXS / ( |
-Sugars , 3 types, 11 molecules 
| #4: Polysaccharide | Source method: isolated from a genetically manipulated source #5: Polysaccharide | Source method: isolated from a genetically manipulated source #6: Sugar | ChemComp-NAG / |
|---|
-Details
| Has protein modification | Y |
|---|
-Experimental details
-Experiment
| Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
|---|
-
Sample preparation
| Crystal | Density Matthews: 3.66 Å3/Da / Density % sol: 66.39 % |
|---|---|
| Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 2.0M ammonium sulfate, 0.1M MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
| Diffraction | Mean temperature: 100 K |
|---|---|
| Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8726 Å |
| Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Sep 24, 2008 |
| Radiation | Monochromator: Silicon 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
| Radiation wavelength | Wavelength: 0.8726 Å / Relative weight: 1 |
| Reflection | Resolution: 2.9→50 Å / Num. all: 43746 / Num. obs: 43573 / % possible obs: 99.67 % / Observed criterion σ(I): -3 / Redundancy: 3.4 % / Biso Wilson estimate: 56.99 Å2 / Rsym value: 0.106 / Net I/σ(I): 8.27 |
| Reflection shell | Resolution: 2.9→3 Å / Redundancy: 3.55 % / Mean I/σ(I) obs: 2.33 / Num. unique all: 3448 / Rsym value: 0.525 / % possible all: 98.4 |
-
Processing
| Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Refinement | Method to determine structure: MOLECULAR REPLACEMENTStarting model: PDB ENTRIES 2Z81, 2Z7X, 2O6R Resolution: 2.9→34.11 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.799 / SU ML: 2.75 / σ(F): 0 / Stereochemistry target values: ML
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 31.282 Å2 / ksol: 0.278 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso max: 445.89 Å2 / Biso mean: 88.661 Å2 / Biso min: 24.01 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement step | Cycle: LAST / Resolution: 2.9→34.11 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 30
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement TLS group |
|
Movie
Controller
About Yorodumi





Eptatretus burgeri (inshore hagfish)
X-RAY DIFFRACTION
Citation










PDBj












TRICHOPLUSIA NI (cabbage looper)
