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Open data
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Basic information
| Entry | Database: PDB / ID: 4lhu | |||||||||
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| Title | Crystal Structure of 9C2 TCR bound to CD1d | |||||||||
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Keywords | IMMUNE SYSTEM / NKT cells / GammaDelta TCR / CD1d / lipid recognition / PBS-44 | |||||||||
| Function / homology | Function and homology informationlipid antigen binding / exogenous lipid antigen binding / antigen processing and presentation, endogenous lipid antigen via MHC class Ib / lipopeptide binding / gamma-delta T cell receptor complex / T cell selection / endogenous lipid antigen binding / gamma-delta T cell activation / antigen processing and presentation, exogenous lipid antigen via MHC class Ib / positive regulation of innate immune response ...lipid antigen binding / exogenous lipid antigen binding / antigen processing and presentation, endogenous lipid antigen via MHC class Ib / lipopeptide binding / gamma-delta T cell receptor complex / T cell selection / endogenous lipid antigen binding / gamma-delta T cell activation / antigen processing and presentation, exogenous lipid antigen via MHC class Ib / positive regulation of innate immune response / heterotypic cell-cell adhesion / T cell receptor complex / small molecule binding / beta-2-microglobulin binding / detection of bacterium / cell adhesion molecule binding / positive regulation of T cell proliferation / negative regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / transferrin transport / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / MHC class II protein complex / negative regulation of forebrain neuron differentiation / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of iron ion transport / regulation of erythrocyte differentiation / HFE-transferrin receptor complex / response to molecule of bacterial origin / MHC class I peptide loading complex / T cell mediated cytotoxicity / positive regulation of T cell cytokine production / antigen processing and presentation of endogenous peptide antigen via MHC class I / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / MHC class I protein complex / positive regulation of T cell activation / peptide antigen binding / positive regulation of receptor-mediated endocytosis / negative regulation of neurogenesis / cellular response to nicotine / positive regulation of T cell mediated cytotoxicity / multicellular organismal-level iron ion homeostasis / specific granule lumen / phagocytic vesicle membrane / recycling endosome membrane / Interferon gamma signaling / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / MHC class II protein complex binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / positive regulation of cellular senescence / tertiary granule lumen / DAP12 signaling / T cell differentiation in thymus / T cell receptor signaling pathway / negative regulation of neuron projection development / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / basolateral plasma membrane / adaptive immune response / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / lysosome / endosome membrane / immune response / endoplasmic reticulum lumen / Amyloid fiber formation / Golgi membrane / lysosomal membrane / innate immune response / external side of plasma membrane / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / cell surface / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol Similarity search - Function | |||||||||
| Biological species | Homo sapiens (human) | |||||||||
| Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.87 Å | |||||||||
Authors | Uldrich, A.P. / Le Nours, J. / Pellicci, D.G. / Gras, S. / Rossjohn, J. / Godfrey, D.I. | |||||||||
Citation | Journal: Nat.Immunol. / Year: 2013Title: CD1d-lipid antigen recognition by the gamma delta TCR. Authors: Uldrich, A.P. / Le Nours, J. / Pellicci, D.G. / Gherardin, N.A. / McPherson, K.G. / Lim, R.T. / Patel, O. / Beddoe, T. / Gras, S. / Rossjohn, J. / Godfrey, D.I. | |||||||||
| History |
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Structure visualization
| Structure viewer | Molecule: Molmil Jmol/JSmol |
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Downloads & links
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Download
| PDBx/mmCIF format | 4lhu.cif.gz | 359.7 KB | Display | PDBx/mmCIF format |
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| PDB format | pdb4lhu.ent.gz | 292 KB | Display | PDB format |
| PDBx/mmJSON format | 4lhu.json.gz | Tree view | PDBx/mmJSON format | |
| Others | Other downloads |
-Validation report
| Summary document | 4lhu_validation.pdf.gz | 1.6 MB | Display | wwPDB validaton report |
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| Full document | 4lhu_full_validation.pdf.gz | 1.6 MB | Display | |
| Data in XML | 4lhu_validation.xml.gz | 34.4 KB | Display | |
| Data in CIF | 4lhu_validation.cif.gz | 46.2 KB | Display | |
| Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lh/4lhu ftp://data.pdbj.org/pub/pdb/validation_reports/lh/4lhu | HTTPS FTP |
-Related structure data
| Related structure data | ![]() 4lfhSC ![]() 2po6S S: Starting model for refinement C: citing same article ( |
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| Similar structure data |
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Links
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Assembly
| Deposited unit | ![]()
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| 1 |
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| Unit cell |
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Components
-Protein , 3 types, 3 molecules ABG
| #1: Protein | Mass: 31758.770 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CD1D / Plasmid: pBacp10ph / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P15813 |
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| #2: Protein | Mass: 11879.356 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Plasmid: pBacp10ph / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P61769 |
| #4: Protein | Mass: 28676.480 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Plasmid: pHLsec / Cell line (production host): HEK293 / Production host: Homo sapiens (human) / References: UniProt: P0CF51*PLUS |
-Antibody , 1 types, 1 molecules D
| #3: Antibody | Mass: 26265.854 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Plasmid: pHLsec / Cell line (production host): HEK293 / Production host: Homo sapiens (human) / References: UniProt: Q6PJ56*PLUS |
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-Sugars , 4 types, 5 molecules 


| #5: Polysaccharide | Source method: isolated from a genetically manipulated source #6: Polysaccharide | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Source method: isolated from a genetically manipulated source #7: Sugar | ChemComp-NAG / | #8: Sugar | ChemComp-BMA / | |
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-Non-polymers , 4 types, 112 molecules 






| #9: Chemical | ChemComp-MG / |
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| #10: Chemical | ChemComp-JLS / ( |
| #11: Chemical | ChemComp-CL / |
| #12: Water | ChemComp-HOH / |
-Details
| Has protein modification | Y |
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-Experimental details
-Experiment
| Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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Sample preparation
| Crystal | Density Matthews: 3.45 Å3/Da / Density % sol: 64.3 % |
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| Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 12% PEG8000, 0.1 M Tris-HCl, pH 7.0, 0.2 M magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
| Diffraction | Mean temperature: 100 K |
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| Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.954 Å |
| Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 15, 2013 |
| Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
| Radiation wavelength | Wavelength: 0.954 Å / Relative weight: 1 |
| Reflection | Resolution: 2.869→99.692 Å / Num. all: 31239 / Num. obs: 31239 / % possible obs: 99.1 % / Redundancy: 10.9 % / Biso Wilson estimate: 92.67 Å2 / Rsym value: 0.135 |
| Reflection shell | Resolution: 2.869→3.02 Å / Redundancy: 10.5 % / Rmerge(I) obs: 0.518 / Mean I/σ(I) obs: 2 / % possible all: 94 |
-Phasing
| Phasing | Method: molecular replacement |
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Processing
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| Refinement | Method to determine structure: MOLECULAR REPLACEMENTStarting model: PDB ENTRIES 4LFH AND 2PO6 Resolution: 2.87→47.47 Å / Cor.coef. Fo:Fc: 0.92 / Cor.coef. Fo:Fc free: 0.8486 / Occupancy max: 1 / Occupancy min: 0 / SU R Cruickshank DPI: 0.75 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.715 / SU Rfree Blow DPI: 0.318 / SU Rfree Cruickshank DPI: 0.325
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| Displacement parameters | Biso mean: 118.16 Å2
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| Refine analyze | Luzzati coordinate error obs: 0.534 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement step | Cycle: LAST / Resolution: 2.87→47.47 Å
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| Refine LS restraints |
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| LS refinement shell | Resolution: 2.87→2.96 Å / Total num. of bins used: 16
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| Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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| Refinement TLS group |
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Homo sapiens (human)
X-RAY DIFFRACTION
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Trichoplusia ni (cabbage looper)
