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Yorodumi- PDB-3vn9: Rifined Crystal structure of non-phosphorylated MAP2K6 in a putat... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3vn9 | |||||||||
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Title | Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state | |||||||||
Components | Dual specificity mitogen-activated protein kinase kinase 6 | |||||||||
Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / auto-inhibition state / activation helices / Mitogen-activated protein kinase kinase / AMP-PNP binding / TRANSFERASE-TRANSFERASE INHIBITOR complex | |||||||||
Function / homology | Function and homology information cellular response to sorbitol / ovulation cycle process / nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway / positive regulation of prostaglandin secretion / mitogen-activated protein kinase kinase / stress-activated protein kinase signaling cascade / negative regulation of cold-induced thermogenesis / Myogenesis / positive regulation of nitric-oxide synthase biosynthetic process / p38MAPK cascade ...cellular response to sorbitol / ovulation cycle process / nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway / positive regulation of prostaglandin secretion / mitogen-activated protein kinase kinase / stress-activated protein kinase signaling cascade / negative regulation of cold-induced thermogenesis / Myogenesis / positive regulation of nitric-oxide synthase biosynthetic process / p38MAPK cascade / PI5P Regulates TP53 Acetylation / MAP kinase kinase activity / Uptake and function of anthrax toxins / signal transduction in response to DNA damage / cardiac muscle contraction / stress-activated MAPK cascade / regulation of signal transduction by p53 class mediator / activated TAK1 mediates p38 MAPK activation / response to ischemia / NOD1/2 Signaling Pathway / bone development / PKR-mediated signaling / Interleukin-1 signaling / osteoblast differentiation / MAPK cascade / cellular senescence / protein tyrosine kinase activity / Oxidative Stress Induced Senescence / positive regulation of MAPK cascade / cytoskeleton / regulation of cell cycle / response to xenobiotic stimulus / positive regulation of protein phosphorylation / positive regulation of apoptotic process / phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / apoptotic process / protein kinase binding / signal transduction / nucleoplasm / ATP binding / identical protein binding / cytoplasm / cytosol Similarity search - Function | |||||||||
Biological species | Homo sapiens (human) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å | |||||||||
Authors | Kinoshita, T. / Matsuzaka, H. / Nakai, R. / Kirii, Y. / Yokota, K. / Tada, T. / Matsumoto, T. | |||||||||
Citation | Journal: J.Biochem. / Year: 2012 Title: Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state Authors: Matsumoto, T. / Kinoshita, T. / Matsuzaka, H. / Nakai, R. / Kirii, Y. / Yokota, K. / Tada, T. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3vn9.cif.gz | 75.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3vn9.ent.gz | 54.3 KB | Display | PDB format |
PDBx/mmJSON format | 3vn9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3vn9_validation.pdf.gz | 801.8 KB | Display | wwPDB validaton report |
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Full document | 3vn9_full_validation.pdf.gz | 822.5 KB | Display | |
Data in XML | 3vn9_validation.xml.gz | 16.2 KB | Display | |
Data in CIF | 3vn9_validation.cif.gz | 21.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vn/3vn9 ftp://data.pdbj.org/pub/pdb/validation_reports/vn/3vn9 | HTTPS FTP |
-Related structure data
Related structure data | 3eqdS S: Starting model for refinement |
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Similar 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: 38369.195 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: MAP2K6 / Plasmid: PET22(+) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: P52564, mitogen-activated protein kinase kinase |
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#2: Chemical | ChemComp-ANK / |
#3: Chemical | ChemComp-MG / |
#4: 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: 2.65 Å3/Da / Density % sol: 53.59 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 20% PEG4000, 10% 2-propanol, 0.1mol/L Na-HEPES-HCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-5A / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Apr 28, 2010 / Details: MIRROR |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→20 Å / Num. all: 12124 / Num. obs: 12124 / % possible obs: 93.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 9.26 % / Rmerge(I) obs: 0.124 |
Reflection shell | Resolution: 2.6→2.69 Å / Redundancy: 9.72 % / Rmerge(I) obs: 0.539 / Mean I/σ(I) obs: 2.1 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3eqd Resolution: 2.6→20 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.935 / SU B: 17.123 / SU ML: 0.343 / Cross valid method: THROUGHOUT / ESU R Free: 0.355 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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: 98.389 Å2
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Refinement step | Cycle: LAST / Resolution: 2.6→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.667 Å / Total num. of bins used: 20
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