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Open data
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Basic information
Entry | Database: PDB / ID: 1s5s | ||||||
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Title | Porcine trypsin complexed with guanidine-3-propanol inhibitor | ||||||
![]() | Trypsin | ||||||
![]() | HYDROLASE / Serine protease | ||||||
Function / homology | ![]() trypsin / digestion / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Transue, T.R. / Krahn, J.M. / Gabel, S.A. / DeRose, E.F. / London, R.E. | ||||||
![]() | ![]() Title: X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Authors: Transue, T.R. / Krahn, J.M. / Gabel, S.A. / DeRose, E.F. / London, R.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 109.2 KB | Display | ![]() |
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PDB format | ![]() | 87.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 435.9 KB | Display | ![]() |
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Full document | ![]() | 436.3 KB | Display | |
Data in XML | ![]() | 14.3 KB | Display | |
Data in CIF | ![]() | 21.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1s6fC ![]() 1s6hC ![]() 1s81C ![]() 1s82C ![]() 1s83C ![]() 1s84C ![]() 1s85C ![]() 1aksS S: Starting model for refinement C: citing same article ( |
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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: 23493.496 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-PG3 / | ||
#4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.02 Å3/Da / Density % sol: 39.19 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / pH: 8 Details: 1.8M MgSO4, 50mM HEPES, 5mM CaCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 8.00 | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / pH: 8 / Method: vapor diffusion, sitting drop | |||||||||||||||||||||||||||||||||||||||||||||||||
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: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jun 12, 2002 / Details: MSC/YALE DOUBLE FOCUSING MIRRORS |
Radiation | Monochromator: MSC/YALE DOUBLE FOCUSING MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→100 Å / Num. obs: 33968 / % possible obs: 88.7 % / Observed criterion σ(I): -3 / Redundancy: 7.467 % / Rsym value: 0.056 / Net I/σ(I): 25.0909 |
Reflection shell | Resolution: 1.4→1.45 Å / Redundancy: 1.6 % / Mean I/σ(I) obs: 3.163 / Rsym value: 0.171 / % possible all: 73.5 |
Reflection | *PLUS Highest resolution: 1.4 Å / % possible obs: 89.6 % / Redundancy: 7.5 % / Rmerge(I) obs: 0.056 |
Reflection shell | *PLUS Rmerge(I) obs: 0.171 / Mean I/σ(I) obs: 3.2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1AKS Resolution: 1.4→43.78 Å / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: AMBER98
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Displacement parameters | Biso mean: 14.21 Å2
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Refinement step | Cycle: LAST / Resolution: 1.4→43.78 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 1.4 Å / % reflection Rfree: 5 % / Rfactor Rwork: 0.176 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |