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Yorodumi- PDB-3pcv: Crystal structure analysis of human leukotriene C4 synthase at 1.... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3pcv | ||||||
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Title | Crystal structure analysis of human leukotriene C4 synthase at 1.9 angstrom resolution | ||||||
Components | Leukotriene C4 synthase | ||||||
Keywords | LYASE / membrane protein / helix bundle / homo trimer / mGST / MAPEG | ||||||
Function / homology | Function and homology information Biosynthesis of protectin and resolvin conjugates in tissue regeneration (PCTR and RCTR) / Biosynthesis of maresin conjugates in tissue regeneration (MCTR) / leukotriene-C4 synthase / leukotriene-C4 synthase activity / Synthesis of Lipoxins (LX) / Synthesis of 5-eicosatetraenoic acids / leukotriene metabolic process / Transferases; Transferring alkyl or aryl groups, other than methyl groups / Synthesis of Leukotrienes (LT) and Eoxins (EX) / leukotriene biosynthetic process ...Biosynthesis of protectin and resolvin conjugates in tissue regeneration (PCTR and RCTR) / Biosynthesis of maresin conjugates in tissue regeneration (MCTR) / leukotriene-C4 synthase / leukotriene-C4 synthase activity / Synthesis of Lipoxins (LX) / Synthesis of 5-eicosatetraenoic acids / leukotriene metabolic process / Transferases; Transferring alkyl or aryl groups, other than methyl groups / Synthesis of Leukotrienes (LT) and Eoxins (EX) / leukotriene biosynthetic process / glutathione peroxidase activity / nuclear outer membrane / long-chain fatty acid biosynthetic process / glutathione transferase activity / enzyme activator activity / nuclear envelope / nuclear membrane / intracellular membrane-bounded organelle / lipid binding / endoplasmic reticulum membrane / endoplasmic reticulum / membrane / identical protein binding Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Saino, H. / Ago, H. / Miyano, M. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2011 Title: The catalytic architecture of leukotriene C4 synthase with two arginine residues Authors: Saino, H. / Ukita, Y. / Ago, H. / Irikura, D. / Nisawa, A. / Ueno, G. / Yamamoto, M. / Kanaoka, Y. / Lam, B.K. / Austen, K.F. / Miyano, M. #1: Journal: Nature / Year: 2007 Title: Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis Authors: Ago, H. / Kanaoka, Y. / Irikura, D. / Lam, B.K. / Shimamura, T. / Austen, K.F. / Miyano, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3pcv.cif.gz | 54.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3pcv.ent.gz | 37.3 KB | Display | PDB format |
PDBx/mmJSON format | 3pcv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pc/3pcv ftp://data.pdbj.org/pub/pdb/validation_reports/pc/3pcv | HTTPS FTP |
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-Related structure data
Related structure data | 2uuiS 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 on special symmetry positions |
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-Components
-Protein / Sugars , 2 types, 12 molecules A
#1: Protein | Mass: 17411.539 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: LTC4S / Plasmid: pESP / Production host: Schizosaccharomyces pombe (fission yeast) / References: UniProt: Q16873, leukotriene-C4 synthase |
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#3: Sugar | ChemComp-LMT / |
-Non-polymers , 5 types, 105 molecules
#2: Chemical | ChemComp-GSH / | ||||||
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#4: Chemical | ChemComp-EDO / #5: Chemical | ChemComp-UNL / Num. of mol.: 4 / Source method: obtained synthetically #6: Chemical | #7: Water | ChemComp-HOH / | |
-Details
Nonpolymer details | LIGANDS ASSINGED UNL IN THE COORDINATES WERE SUPPOSED TO BE THE MALTOSIDE PORTIONS OF DODECYL ...LIGANDS ASSINGED UNL IN THE COORDINATE |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
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-Sample preparation
Crystal | Density Matthews: 4.91 Å3/Da / Density % sol: 74.77 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.1M MES-NaOH (pH 6.5), 1.6M ammonium sulfate, 0.8M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL26B2 / Wavelength: 0.97 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Sep 5, 2008 |
Radiation | Monochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→20.4 Å / Num. obs: 30950 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 9.9 % / Rmerge(I) obs: 0.08 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 7.7 % / Rmerge(I) obs: 0.302 / Num. unique all: 4517 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2UUI Resolution: 1.9→18.78 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.947 / SU B: 1.6 / SU ML: 0.049 / Cross valid method: THROUGHOUT / ESU R Free: 0.084 / Stereochemistry target values: MON_LIB in CCP4
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.263 Å2 | |||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→18.78 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.901→1.949 Å / Total num. of bins used: 20
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