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Open data
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Basic information
Entry | Database: PDB / ID: 1lkb | ||||||
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Title | Porcine Pancreatic Elastase/Na-Complex | ||||||
![]() | Elastase 1 | ||||||
![]() | HYDROLASE / chymotrypsin-fold / beta-barrel / sodium binding / chloride binding / sulfate binding | ||||||
Function / homology | ![]() pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Weiss, M.S. / Panjikar, S. / Nowak, E. / Tucker, P.A. | ||||||
![]() | ![]() Title: Metal binding to porcine pancreatic elastase: calcium or not calcium. Authors: Weiss, M.S. / Panjikar, S. / Nowak, E. / Tucker, P.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 66.2 KB | Display | ![]() |
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PDB format | ![]() | 47 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 430.8 KB | Display | ![]() |
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Full document | ![]() | 431.5 KB | Display | |
Data in XML | ![]() | 13.7 KB | Display | |
Data in CIF | ![]() | 20.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1lkaC ![]() 1qnjS C: citing same article ( 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
#1: Protein | Mass: 25929.016 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() | ||||||
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#2: Chemical | #3: Chemical | ChemComp-CL / | #4: Chemical | ChemComp-NA / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.09 Å3/Da / Density % sol: 41.07 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.1 Details: sodium acetate, sodium sulfate, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→99 Å / Num. all: 24415 / Num. obs: 24415 / % possible obs: 99.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 19.1 % / Biso Wilson estimate: 13.4 Å2 / Rmerge(I) obs: 0.053 / Net I/σ(I): 56.3 |
Reflection shell | Resolution: 1.7→1.73 Å / Rmerge(I) obs: 0.171 / Mean I/σ(I) obs: 18.6 / % possible all: 99 |
Reflection | *PLUS Redundancy: 19.12 % / Num. measured all: 466785 |
Reflection shell | *PLUS % possible obs: 99 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: pdb entry 1QNJ Resolution: 1.7→40 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.7→40 Å
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Refine LS restraints | Type: p_bond_d / Dev ideal: 0.01 | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 40 Å / σ(F): 0 / Rfactor Rfree: 0.2034 / Rfactor Rwork: 0.1693 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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