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Yorodumi- PDB-1fzz: THE CRYSTAL STRUCTURE OF THE COMPLEX OF NON-PEPTIDIC INHIBITOR ON... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1fzz | ||||||
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Title | THE CRYSTAL STRUCTURE OF THE COMPLEX OF NON-PEPTIDIC INHIBITOR ONO-6818 AND PORCINE PANCREATIC ELASTASE. | ||||||
Components | ELASTASE 1 | ||||||
Keywords | HYDROLASE / Enzyme-Inhibitor Complex | ||||||
Function / homology | Function and homology information pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Sus scrofa (pig) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.86 Å | ||||||
Authors | Odagaki, Y. / Ohmoto, K. / Matsuoka, S. / Hamanaka, N. / Nakai, H. / Toda, M. / Katsuya, Y. | ||||||
Citation | Journal: Bioorg.Med.Chem. / Year: 2001 Title: The crystal structure of the complex of non-peptidic inhibitor of human neutrophil elastase ONO-6818 and porcine pancreatic elastase. Authors: Odagaki, Y. / Ohmoto, K. / Matsuoka, S. / Hamanaka, N. / Nakai, H. / Toda, M. / Katsuya, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1fzz.cif.gz | 55 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1fzz.ent.gz | 43.1 KB | Display | PDB format |
PDBx/mmJSON format | 1fzz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fz/1fzz ftp://data.pdbj.org/pub/pdb/validation_reports/fz/1fzz | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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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) Sus scrofa (pig) / Organ: PANCREAS / References: UniProt: P00772, pancreatic elastase |
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#2: Chemical | ChemComp-681 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.5 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5 Details: Sodium sulfate, Sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystal grow | *PLUS |
Components of the solutions | *PLUS Conc.: 100 mg/ml / Common name: sodium sulfate |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Mar 10, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.86→10 Å / Num. all: 19460 / Num. obs: 19409 / % possible obs: 98.6 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 5.38 % / Rmerge(I) obs: 0.055 / Net I/σ(I): 9.78 |
Reflection shell | Resolution: 1.86→1.92 Å / Redundancy: 4.41 % / Rmerge(I) obs: 0.371 / Num. unique all: 1675 / % possible all: 0.96 |
Reflection shell | *PLUS % possible obs: 96 % |
-Processing
Software |
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Refinement | Resolution: 1.86→10 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 1.86→10 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS σ(F): 2 / Rfactor obs: 0.198 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |