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Yorodumi- PDB-3aas: Bovine beta-trypsin bound to meta-guanidino schiff base copper (I... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3aas | ||||||
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Title | Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate | ||||||
Components | Cationic trypsin | ||||||
Keywords | HYDROLASE / enzyme-inhibitor complex / coordination metal based inhibitor / Calcium / Digestion / Metal-binding / Protease / Secreted / Serine protease / Zymogen | ||||||
Function / homology | Function and homology information trypsin / serpin family protein binding / serine protease inhibitor complex / digestion / endopeptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.75 Å | ||||||
Authors | Iyaguchi, D. / Kawano, S. / Toyota, E. | ||||||
Citation | Journal: Bioorg.Med.Chem. / Year: 2010 Title: Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Authors: Iyaguchi, D. / Kawano, S. / Takada, K. / Toyota, E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3aas.cif.gz | 61.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3aas.ent.gz | 42.9 KB | Display | PDB format |
PDBx/mmJSON format | 3aas.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aa/3aas ftp://data.pdbj.org/pub/pdb/validation_reports/aa/3aas | HTTPS FTP |
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-Related structure data
Related structure data | 3aauC 3aavC 1g3dS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 23324.287 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00760, trypsin |
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#2: Chemical | ChemComp-GUS / ( |
#3: Chemical | ChemComp-CA / |
#4: Chemical | ChemComp-CU / |
#5: 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: 2.14 Å3/Da / Density % sol: 42.57 % |
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Crystal grow | Method: vapor diffusion, hanging drop / Details: VAPOR DIFFUSION, HANGING DROP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 1.75→50 Å / Num. obs: 20227 / % possible obs: 97 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.057 |
Reflection shell | Resolution: 1.75→1.81 Å / Redundancy: 6.9 % / Rmerge(I) obs: 0.191 / % possible all: 95 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1G3D Resolution: 1.75→20 Å
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Refinement step | Cycle: LAST / Resolution: 1.75→20 Å
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