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Open data
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Basic information
Entry | Database: PDB / ID: 4gg6 | ||||||
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Title | Protein complex | ||||||
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![]() | IMMUNE SYSTEM / IMMUNE RECEPTOR-LIGAND COMPLEX | ||||||
Function / homology | ![]() nutrient reservoir activity / MHC class II receptor activity / alpha-beta T cell receptor complex / transport vesicle membrane / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / alpha-beta T cell activation / humoral immune response / Generation of second messenger molecules / PD-1 signaling ...nutrient reservoir activity / MHC class II receptor activity / alpha-beta T cell receptor complex / transport vesicle membrane / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / alpha-beta T cell activation / humoral immune response / Generation of second messenger molecules / PD-1 signaling / immunoglobulin complex, circulating / immunoglobulin receptor binding / MHC class II antigen presentation / trans-Golgi network membrane / complement activation, classical pathway / lumenal side of endoplasmic reticulum membrane / antigen binding / response to bacterium / clathrin-coated endocytic vesicle membrane / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class II protein complex / MHC class II protein complex / peptide antigen binding / antigen processing and presentation of exogenous peptide antigen via MHC class II / endocytic vesicle membrane / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Interferon gamma signaling / positive regulation of immune response / Downstream TCR signaling / positive regulation of T cell activation / MHC class II protein complex binding / late endosome membrane / T cell receptor signaling pathway / antibacterial humoral response / adaptive immune response / blood microparticle / immune response / lysosomal membrane / Golgi membrane / extracellular exosome / membrane / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Broughton, S.E. / Theodossis, A. / Petersen, J. / Reid, H.H. / Rossjohn, J. | ||||||
![]() | ![]() Title: Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease. Authors: Broughton, S.E. / Petersen, J. / Theodossis, A. / Scally, S.W. / Loh, K.L. / Thompson, A. / van Bergen, J. / Kooy-Winkelaar, Y. / Henderson, K.N. / Beddoe, T. / Tye-Din, J.A. / Mannering, S. ...Authors: Broughton, S.E. / Petersen, J. / Theodossis, A. / Scally, S.W. / Loh, K.L. / Thompson, A. / van Bergen, J. / Kooy-Winkelaar, Y. / Henderson, K.N. / Beddoe, T. / Tye-Din, J.A. / Mannering, S.I. / Purcell, A.W. / McCluskey, J. / Anderson, R.P. / Koning, F. / Reid, H.H. / Rossjohn, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 520 KB | Display | ![]() |
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PDB format | ![]() | 411.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 538.1 KB | Display | ![]() |
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Full document | ![]() | 550.4 KB | Display | |
Data in XML | ![]() | 52.3 KB | Display | |
Data in CIF | ![]() | 71.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4gg8C ![]() 1kgcS ![]() 2nnaS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS ensembles :
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Components
-HLA class II histocompatibility antigen, DQ ... , 2 types, 4 molecules ACBD
#1: Protein | Mass: 21874.377 Da / Num. of mol.: 2 / Fragment: EXTRACELLULAR DOMAINS, UNP RESIDUES 24-206 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() #2: Protein | Mass: 24606.475 Da / Num. of mol.: 2 / Fragment: EXTRACELLULAR DOMAINS, UNP RESIDUES 33-224 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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-T-CELL RECEPTOR, SP3.4 ... , 2 types, 4 molecules EGFH
#3: Protein | Mass: 23039.484 Da / Num. of mol.: 2 / Fragment: EXTRACELLULAR DOMAINS / Mutation: T176C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #4: Protein | Mass: 27558.459 Da / Num. of mol.: 2 / Fragment: EXTRACELLULAR DOMAINS / Mutation: C202A, S184C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Protein/peptide / Sugars , 2 types, 5 molecules IJ![](data/chem/img/NAG.gif)
![](data/chem/img/NAG.gif)
#5: Protein/peptide | Mass: 2008.019 Da / Num. of mol.: 2 Fragment: DEAMIDATED ALPHA-I GLIADIN PEPTIDE, UNP RESIDUES 243-260 Mutation: Q3E, Q11E / Source method: obtained synthetically / Details: CHEMICAL SYNTHESIS / Source: (synth.) ![]() ![]() #6: Sugar | |
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-Details
Sequence details | 1. SEQUENCE CONFLICTS OF ENTITY 1 AND 2 ARE ALL NATURAL VARIANTS ACCORDING TO DATABASE UNIPROT ...1. SEQUENCE CONFLICTS OF ENTITY 1 AND 2 ARE ALL NATURAL VARIANTS ACCORDING TO DATABASE UNIPROT P01909 (ENTITY 1) AND P01920 (ENTITY 2) RESPECTIVE |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 53.69 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.2M SODIUM ACETATE, 0.1M MES PH 6.5, 17% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Dec 10, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.95666 Å / Relative weight: 1 |
Reflection | Resolution: 3.2→40 Å / Num. obs: 32429 / % possible obs: 91 % / Redundancy: 4.6 % / Rmerge(I) obs: 0.173 / Net I/σ(I): 9.1 |
Reflection shell | Resolution: 3.2→3.31 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.554 / Mean I/σ(I) obs: 2.6 / % possible all: 93.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRIES 1KGC AND 2NNA Resolution: 3.2→35.88 Å / Cor.coef. Fo:Fc: 0.877 / Cor.coef. Fo:Fc free: 0.837 / SU B: 59.408 / SU ML: 0.445 / Cross valid method: THROUGHOUT / ESU R Free: 0.597 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 43.24 Å2
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Refinement step | Cycle: LAST / Resolution: 3.2→35.88 Å
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Refine LS restraints |
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Refine LS restraints NCS | Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION
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