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Yorodumi- PDB-4fd7: Crystal structure of insect putative arylalkylamine N-Acetyltrans... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4fd7 | ||||||
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Title | Crystal structure of insect putative arylalkylamine N-Acetyltransferase 7 from the yellow fever mosquito Aedes aegypt | ||||||
Components | putative arylalkylamine N-Acetyltransferase 7 | ||||||
Keywords | TRANSFERASE / Gnat / CoA binding | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Aedes aegypti (yellow fever mosquito) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Han, Q. / Robinson, R. / Li, J. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2012 Title: Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti. Authors: Han, Q. / Robinson, H. / Ding, H. / Christensen, B.M. / Li, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4fd7.cif.gz | 219.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4fd7.ent.gz | 176 KB | Display | PDB format |
PDBx/mmJSON format | 4fd7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fd/4fd7 ftp://data.pdbj.org/pub/pdb/validation_reports/fd/4fd7 | HTTPS FTP |
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-Related structure data
Related structure data | 4fd4C 4fd5SC 4fd6C C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 27352.129 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aedes aegypti (yellow fever mosquito) / Strain: Liverpool / Gene: AAEL012870, AaeL_AAEL012870 / Plasmid: ptyb / Production host: Escherichia coli (E. coli) / Strain (production host): DE3 References: UniProt: Q16KU7, aralkylamine N-acetyltransferase #2: Chemical | ChemComp-IOD / #3: Chemical | ChemComp-EDO / #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48.21 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 0.5 M sodium chloride, 25.5% polyethylene glycol 8000, 15% glycerol and 0.1 M sodium acetate , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X29A / Wavelength: 1.54 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 6, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 94402 / Redundancy: 7 % / Rmerge(I) obs: 0.2 / Net I/σ(I): 11.2 |
Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 6.9 % / Rmerge(I) obs: 0.72 / Mean I/σ(I) obs: 4 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4FD5 Resolution: 1.8→40 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.882 / Cross valid method: THROUGHOUT / ESU R: 0.165 / ESU R Free: 0.155 / 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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.768 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.802→1.849 Å / Total num. of bins used: 20
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