[English] 日本語
Yorodumi- PDB-1s0r: Bovine Pancreatic Trypsin inhibited with Benzamidine at Atomic re... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1s0r | ||||||
---|---|---|---|---|---|---|---|
Title | Bovine Pancreatic Trypsin inhibited with Benzamidine at Atomic resolution | ||||||
Components | Trypsinogen | ||||||
Keywords | HYDROLASE / Trypsin / Benzamidine / Atomic Resolution | ||||||
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 / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.02 Å | ||||||
Authors | Chamorro Gavilanes, J.A. / Garca-Granda, S. | ||||||
Citation | Journal: To be Published Title: Pancratic bovine Trypsin native and inhibited with Benzamidine from synchotron data. Authors: Chamorro, J.A. / Cuesta-Seijo, J.A. / Garca-Granda, S. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1s0r.cif.gz | 109.2 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1s0r.ent.gz | 82.2 KB | Display | PDB format |
PDBx/mmJSON format | 1s0r.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/s0/1s0r ftp://data.pdbj.org/pub/pdb/validation_reports/s0/1s0r | HTTPS FTP |
---|
-Related structure data
Related structure data | 1s0qSC S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 23324.287 Da / Num. of mol.: 1 / Fragment: Trypsin / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00760, trypsin |
---|---|
#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-BEN / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
---|
-Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 45.73 % |
---|---|
Crystal grow | Method: vapor diffusion, hanging drop / pH: 8 Details: PEG 6000, Benzamidine, Amonum Sulphate, Calcium Chloride, TRIS-HCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 100K |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 1.02 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 9, 2001 |
Radiation | Monochromator: Si 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.02 Å / Relative weight: 1 |
Reflection | Resolution: 1.02→20 Å / Num. all: 99328 / Num. obs: 94365 / % possible obs: 91.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.02→1.06 Å / % possible all: 70.8 |
-Processing
Software |
| |||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1S0Q Resolution: 1.02→20 Å / Num. parameters: 18027 / Num. restraintsaints: 21495 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER / Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF)
| |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 10 / Occupancy sum hydrogen: 1599.96 / Occupancy sum non hydrogen: 1973.97 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.02→20 Å
| |||||||||||||||||||||||||||||||||
Refine LS restraints |
|