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Yorodumi- PDB-3dt8: Crystal Structure of Bovin Brain Platelet Activating Factor Acety... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3dt8 | ||||||
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Title | Crystal Structure of Bovin Brain Platelet Activating Factor Acetylhydrolase Covalently Inhibited by Sarin | ||||||
Components | Brain Platelet-activating factor acetylhydrolase IB subunit alpha | ||||||
Keywords | HYDROLASE / PLATELET ACTIVATING FACTOR ACETYLHYDROLASE / PAF-AH IB / ALPHA-1 SUBUNIT / LIS1 / GROUP VIII PHOSPHOLIPASE A2 / 26 kDa / SARIN / Cytoplasm / Lipid degradation / PLATELET FACTOR | ||||||
Function / homology | Function and homology information platelet-activating factor acetyltransferase activity / 1-alkyl-2-acetylglycerophosphocholine esterase complex / COPI-independent Golgi-to-ER retrograde traffic / 1-alkyl-2-acetylglycerophosphocholine esterase / 1-alkyl-2-acetylglycerophosphocholine esterase activity / lipid catabolic process / spermatogenesis / protein heterodimerization activity / protein homodimerization activity / cytoplasm Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.85 Å | ||||||
Authors | Epstein, T.M. / Samanta, U. / Bahnson, B.J. | ||||||
Citation | Journal: Biochemistry / Year: 2009 Title: Crystal structures of brain group-VIII phospholipase A2 in nonaged complexes with the organophosphorus nerve agents soman and sarin. Authors: Epstein, T.M. / Samanta, U. / Kirby, S.D. / Cerasoli, D.M. / Bahnson, B.J. #1: Journal: Nature / Year: 1997 Title: Brain Acetylhydrolase that Inactivates Platelet-Activating Factor is a G-Protein-Like Trimer Authors: Ho, Y.S. / Swenson, L. / Derewenda, U. / Serre, L. / Wei, Y. / Dauter, Z. / Hattori, M. / Adachi, T. / Aoki, J. / Arai, H. / Inoue, K. / Derewenda, Z.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3dt8.cif.gz | 57.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3dt8.ent.gz | 41.2 KB | Display | PDB format |
PDBx/mmJSON format | 3dt8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dt/3dt8 ftp://data.pdbj.org/pub/pdb/validation_reports/dt/3dt8 | HTTPS FTP |
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-Related structure data
Related structure data | 3dt6C 3dt9C 1wabS S: Starting model for refinement C: citing same article (ref.) |
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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: 26007.385 Da / Num. of mol.: 1 / Mutation: C55S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bos taurus (cattle) / Gene: PAFAH1B3, PAFAHG / Organ: BRAIN / Production host: Escherichia coli (E. coli) References: UniProt: Q29460, 1-alkyl-2-acetylglycerophosphocholine esterase |
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#2: 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: 2.67 Å3/Da / Density % sol: 53.96 % |
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Crystal grow | Method: vapor diffusion, hanging drop / Details: VAPOR DIFFUSION, HANGING DROP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU300 / Wavelength: 1.54 |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Oct 26, 2003 / Details: OSMIC BLUE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→70.36 Å / Num. all: 23181 / Num. obs: 23181 / % possible obs: 96.1 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 5.8 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 26.52 |
Reflection shell | Resolution: 1.85→1.92 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.577 / Mean I/σ(I) obs: 1.2 / % possible all: 98.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1WAB Resolution: 1.85→30 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.928 / SU B: 2.656 / SU ML: 0.082 / Cross valid method: THROUGHOUT / σ(F): 1 / ESU R: 0.141 / ESU R Free: 0.13 / 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: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.879 Å2
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Refinement step | Cycle: LAST / Resolution: 1.85→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.85→1.899 Å / Total num. of bins used: 20
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