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- PDB-1lw6: Crystal Structure of the Complex of Subtilisin BPN' with Chymotry... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1lw6 | ||||||
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Title | Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution | ||||||
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![]() | HYDROLASE / SERINE PROTEASE / INHIBITOR | ||||||
Function / homology | ![]() subtilisin / sporulation resulting in formation of a cellular spore / fibrinolysis / serine-type endopeptidase inhibitor activity / response to wounding / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Radisky, E.S. / Koshland JR., D.E. | ||||||
![]() | ![]() Title: A clogged gutter mechanism for protease inhibitors. Authors: Radisky, E.S. / Koshland Jr., D.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 | ![]() | 89 KB | Display | ![]() |
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PDB format | ![]() | 65 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 444.4 KB | Display | ![]() |
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Full document | ![]() | 445.2 KB | Display | |
Data in XML | ![]() | 19.6 KB | Display | |
Data in CIF | ![]() | 31 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2sniS 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: 28381.396 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Protein | Mass: 7255.586 Da / Num. of mol.: 1 / Mutation: E45A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
#3: Chemical | ChemComp-CA / | ||
#4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.56 Å3/Da / Density % sol: 51.91 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: PEG 8000, ammonium sulfate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / pH: 5.8 | ||||||||||||||||||||||||||||||||||||||||||
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: ADSC QUANTUM 4 / Detector: CCD / Date: Jul 21, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→29.66 Å / Num. all: 57529 / Num. obs: 57374 / % possible obs: 96.8 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 6.5 % / Biso Wilson estimate: 12.4 Å2 / Rsym value: 0.072 / Net I/σ(I): 15.3 |
Reflection shell | Resolution: 1.5→1.58 Å / Redundancy: 5 % / Mean I/σ(I) obs: 4.3 / Num. unique all: 7527 / Rsym value: 0.34 / % possible all: 88.9 |
Reflection | *PLUS Highest resolution: 1.5 Å / Lowest resolution: 29.7 Å / Rmerge(I) obs: 0.072 |
Reflection shell | *PLUS % possible obs: 88.9 % / Rmerge(I) obs: 0.34 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2SNI Resolution: 1.5→29.66 Å / σ(F): -3 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 12.71 Å2 | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→29.66 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 1.5 Å / Lowest resolution: 29.7 Å / Rfactor all: 0.17 / Rfactor Rfree: 0.188 / Rfactor Rwork: 0.169 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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