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Open data
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Basic information
Entry | Database: PDB / ID: 1u4g | ||||||
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Title | Elastase of Pseudomonas aeruginosa with an inhibitor | ||||||
![]() | Elastase | ||||||
![]() | HYDROLASE / x-ray structure / Elastase / inhibition / peptidase family M4 | ||||||
Function / homology | ![]() pseudolysin / protein transport by the Sec complex / protein secretion by the type II secretion system / bacterial-type flagellum-dependent swarming motility / single-species biofilm formation / metalloendopeptidase activity / endopeptidase activity / proteolysis / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bitto, E. / McKay, D.B. | ||||||
![]() | ![]() Title: Elastase of Pseudomonas aeruginosa with an inhibitor Authors: Bitto, E. / McKay, D.B. #1: ![]() Title: Three-dimensional structure of the elastase of Pseudomonas aeruginosa at 1.5-A resolution Authors: Thayer, M.M. / Flaherty, K.M. / McKay, D.B. #2: ![]() Title: Structural comparison suggests that thermolysin and related neutral proteases undergo hinge-bending motion during catalysis Authors: Holland, D.R. / Tronrud, D.E. / Pley, H.W. / Flaherty, K.M. / Stark, W. / Jansonius, J.N. / McKay, D.B. / Matthews, B.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 77.9 KB | Display | ![]() |
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PDB format | ![]() | 56.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 790.6 KB | Display | ![]() |
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Full document | ![]() | 794.1 KB | Display | |
Data in XML | ![]() | 15.8 KB | Display | |
Data in CIF | ![]() | 22.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1ezmS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 33175.531 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: protein from Nagase, Japan; isolated as extracellular protease from cultures of Pseudomonas aeruginosa Source: (natural) ![]() ![]() |
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-Non-polymers , 5 types, 231 molecules ![](data/chem/img/ZN.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HPI.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HPI.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-ZN / |
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#3: Chemical | ChemComp-CA / |
#4: Chemical | ChemComp-SO4 / |
#5: Chemical | ChemComp-HPI / |
#6: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.31 Å3/Da / Density % sol: 46.4 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: ammonium sulfate 1 mM, inhibitor, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC / Detector: CCD |
Radiation | Monochromator: ssrl bl 11-1 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.965 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→30 Å / Num. obs: 57704 / % possible obs: 89.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rsym value: 0.07 |
Reflection shell | Resolution: 1.4→1.42 Å / Rsym value: 0.121 / % possible all: 73.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1EZM Resolution: 1.4→30 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 11.82 Å2 | ||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.15 Å / Luzzati d res low obs: 1.4 Å / Luzzati sigma a obs: 0.16 Å | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→30 Å
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Refine LS restraints |
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