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Open data
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Basic information
Entry | Database: PDB / ID: 2fog | ||||||
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Title | Structure of porcine pancreatic elastase in 40% trifluoroethanol | ||||||
![]() | elastase-1 | ||||||
![]() | HYDROLASE / elastase / solvent mapping / organic solvents / protein binding sites / multiple solvent crystal structures | ||||||
Function / homology | ![]() pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Mattos, C. / Bellamacina, C.R. / Peisach, E. / Pereira, A. / Vitkup, D. / Petsko, G.A. / Ringe, D. | ||||||
![]() | ![]() Title: Multiple solvent crystal structures: Probing binding sites, plasticity and hydration Authors: Mattos, C. / Bellamacina, C.R. / Peisach, E. / Pereira, A. / Vitkup, D. / Petsko, G.A. / Ringe, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 64.3 KB | Display | ![]() |
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PDB format | ![]() | 45.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 446.2 KB | Display | ![]() |
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Full document | ![]() | 447.9 KB | Display | |
Data in XML | ![]() | 13 KB | Display | |
Data in CIF | ![]() | 18 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2fo9C ![]() 2foaC ![]() 2fobC ![]() 2focC ![]() 2fodC ![]() 2foeC ![]() 2fofC ![]() 2fohC ![]() 1elcS 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: 25928.031 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() | ||
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#2: Chemical | ChemComp-CA / | ||
#3: Chemical | ChemComp-SO4 / | ||
#4: Chemical | ChemComp-ETF / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.64 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 15 mg/ml elastase, 25 mM Sodium Acetate, 135 mM Sodium sulfate, 10 ul drop (5x5). See also: Sawyer et al., J.Mol.Biol. 118, 137-208 (1978), pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 277 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS-NICOLET X100 / Detector: AREA DETECTOR |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→500 Å / Num. obs: 14069 / % possible obs: 40 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1ELC Resolution: 1.9→500 Å / FOM work R set: 0.891 / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Bsol: 72.016 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.133 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→500 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 15
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Xplor file |
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