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Yorodumi- PDB-5irl: Crystal structure of rabbit NOD2 SER mutant in an ADP-bound state -
+Open data
-Basic information
Entry | Database: PDB / ID: 5irl | ||||||
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Title | Crystal structure of rabbit NOD2 SER mutant in an ADP-bound state | ||||||
Components | Uncharacterized protein | ||||||
Keywords | IMMUNE SYSTEM / NOD2 / innate immunity | ||||||
Function / homology | Function and homology information biosynthetic process of antibacterial peptides active against Gram-positive bacteria / detection of muramyl dipeptide / muramyl dipeptide binding / positive regulation of biosynthetic process of antibacterial peptides active against Gram-positive bacteria / negative regulation of T cell mediated immunity / regulation of neutrophil chemotaxis / negative regulation of interleukin-18 production / host-mediated regulation of intestinal microbiota composition / positive regulation of dendritic cell antigen processing and presentation / intestinal stem cell homeostasis ...biosynthetic process of antibacterial peptides active against Gram-positive bacteria / detection of muramyl dipeptide / muramyl dipeptide binding / positive regulation of biosynthetic process of antibacterial peptides active against Gram-positive bacteria / negative regulation of T cell mediated immunity / regulation of neutrophil chemotaxis / negative regulation of interleukin-18 production / host-mediated regulation of intestinal microbiota composition / positive regulation of dendritic cell antigen processing and presentation / intestinal stem cell homeostasis / negative regulation of toll-like receptor 2 signaling pathway / regulation of appetite / toll-like receptor 2 signaling pathway / negative regulation of macrophage cytokine production / negative regulation of macrophage apoptotic process / antibacterial innate immune response / positive regulation of humoral immune response mediated by circulating immunoglobulin / maintenance of gastrointestinal epithelium / positive regulation of mitophagy / positive regulation of xenophagy / xenophagy / positive regulation of B cell activation / positive regulation of protein K63-linked ubiquitination / positive regulation of type 2 immune response / cellular response to muramyl dipeptide / CARD domain binding / peptidoglycan binding / cellular response to peptidoglycan / negative regulation of interleukin-12 production / positive regulation of cytokine production involved in inflammatory response / nucleotide-binding oligomerization domain containing 2 signaling pathway / positive regulation of monocyte chemotactic protein-1 production / positive regulation of macrophage cytokine production / pattern recognition receptor activity / negative regulation of interleukin-2 production / temperature homeostasis / extrinsic component of plasma membrane / positive regulation of Notch signaling pathway / response to exogenous dsRNA / positive regulation of interleukin-17 production / positive regulation of nitric-oxide synthase biosynthetic process / positive regulation of interleukin-10 production / response to muramyl dipeptide / negative regulation of type II interferon production / negative regulation of tumor necrosis factor production / phagocytic vesicle / phagocytosis / positive regulation of phagocytosis / JNK cascade / negative regulation of inflammatory response to antigenic stimulus / ERK1 and ERK2 cascade / Hsp70 protein binding / detection of bacterium / positive regulation of interleukin-12 production / response to endoplasmic reticulum stress / innate immune response in mucosa / ubiquitin binding / positive regulation of interleukin-1 beta production / positive regulation of epithelial cell proliferation / establishment of localization in cell / ADP binding / positive regulation of interleukin-8 production / positive regulation of JNK cascade / Hsp90 protein binding / positive regulation of interleukin-6 production / positive regulation of non-canonical NF-kappaB signal transduction / positive regulation of peptidyl-tyrosine phosphorylation / positive regulation of tumor necrosis factor production / actin binding / basolateral plasma membrane / positive regulation of canonical NF-kappaB signal transduction / cellular response to lipopolysaccharide / adaptive immune response / positive regulation of ERK1 and ERK2 cascade / cytoskeleton / defense response to bacterium / protein-containing complex binding / protein kinase binding / Golgi apparatus / cell surface / positive regulation of transcription by RNA polymerase II / protein-containing complex / mitochondrion / ATP binding / cytosol Similarity search - Function | ||||||
Biological species | Oryctolagus cuniculus (rabbit) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3.09 Å | ||||||
Authors | Maekawa, S. / Ohto, U. / Shimizu, T. | ||||||
Citation | Journal: Nat Commun / Year: 2016 Title: Crystal structure of NOD2 and its implications in human disease. Authors: Maekawa, S. / Ohto, U. / Shibata, T. / Miyake, K. / Shimizu, T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5irl.cif.gz | 161.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5irl.ent.gz | 122.6 KB | Display | PDB format |
PDBx/mmJSON format | 5irl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ir/5irl ftp://data.pdbj.org/pub/pdb/validation_reports/ir/5irl | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 91762.617 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 194-1020 / Mutation: E943A, E944A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Oryctolagus cuniculus (rabbit) / Gene: NOD2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: G1T469 |
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#2: Chemical | ChemComp-ADP / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 4.24 Å3/Da / Density % sol: 71.01 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7.8 Details: 5% PEG 20000, 5% MPD, 100 mM Hepes pH 7.8, 500 mM NaCl |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL32XU / Wavelength: 0.979 Å |
Detector | Type: RAYONIX MX225HE / Detector: CCD / Date: Oct 10, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 3.09→93.22 Å / Num. obs: 27203 / % possible obs: 98.8 % / Redundancy: 4.1 % / Net I/σ(I): 12.7 |
-Processing
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Refinement | Resolution: 3.09→93.22 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.9 / SU B: 16.64 / SU ML: 0.279 / Cross valid method: THROUGHOUT / ESU R: 0.768 / ESU R Free: 0.367 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 68.592 Å2
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Refinement step | Cycle: LAST / Resolution: 3.09→93.22 Å
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