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- PDB-4ea9: X-ray structure of GDP-perosamine N-acetyltransferase in complex ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ea9 | ||||||
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Title | X-ray structure of GDP-perosamine N-acetyltransferase in complex with transition state analog at 0.9 Angstrom resolution | ||||||
![]() | Perosamine N-acetyltransferase | ||||||
![]() | TRANSFERASE / beta helix / acetyltransferase / acetyl coenzyme A / GDP-perosamine | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Thoden, J.B. / Reinhardt, L.A. / Cook, P.D. / Menden, P. / Cleland, W.W. / Holden, H.M. | ||||||
![]() | ![]() Title: Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Authors: Thoden, J.B. / Reinhardt, L.A. / Cook, P.D. / Menden, P. / Cleland, W.W. / Holden, H.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 110.9 KB | Display | ![]() |
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PDB format | ![]() | 83 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 691.7 KB | Display | ![]() |
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Full document | ![]() | 697 KB | Display | |
Data in XML | ![]() | 14.9 KB | Display | |
Data in CIF | ![]() | 22.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4ea7SC ![]() 4ea8C ![]() 4eaaC ![]() 4eabC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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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
#1: Protein | Mass: 21910.334 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: O85353, Transferases; Acyltransferases; Transferring groups other than aminoacyl groups | ||
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#2: Chemical | ChemComp-JBT / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.88 Å3/Da / Density % sol: 57.27 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 25-30% PEG5000 MME, 100 mM HEPES, pH 7.5, 10 mM CoA, 10 mM GDP-perosamine, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 19, 2009 |
Radiation | Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.667 Å / Relative weight: 1 |
Reflection | Resolution: 0.9→50 Å / Num. all: 181485 / Num. obs: 181485 / % possible obs: 98.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 8.1 % / Rmerge(I) obs: 0.072 / Rsym value: 0.072 / Net I/σ(I): 50.6 |
Reflection shell | Resolution: 0.9→0.92 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 2.4 / Num. unique all: 8807 / Rsym value: 0.36 / % possible all: 95.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 4EA7 Resolution: 0.9→50 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 0.9→50 Å
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