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Open data
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Basic information
Entry | Database: PDB / ID: 1scj | ||||||
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Title | CRYSTAL STRUCTURE OF SUBTILISIN-PROPEPTIDE COMPLEX | ||||||
![]() | (SUBTILISIN E) x 2 | ||||||
![]() | HYDROLASE / SUBTILISIN E - PROPEPTIDE / SERINE PROTEASE | ||||||
Function / homology | ![]() subtilisin / sporulation resulting in formation of a cellular spore / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Berman, H.M. / Jain, S.C. | ||||||
![]() | ![]() Title: The crystal structure of an autoprocessed Ser221Cys-subtilisin E-propeptide complex at 2.0 A resolution. Authors: Jain, S.C. / Shinde, U. / Li, Y. / Inouye, M. / Berman, H.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 79.5 KB | Display | ![]() |
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PDB format | ![]() | 59 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 435.7 KB | Display | ![]() |
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Full document | ![]() | 442.4 KB | Display | |
Data in XML | ![]() | 17 KB | Display | |
Data in CIF | ![]() | 23.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 27748.625 Da / Num. of mol.: 1 / Mutation: S221C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Protein | Mass: 7980.167 Da / Num. of mol.: 1 / Mutation: S221C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45 % | |||||||||||||||||||||||||
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Crystal grow | pH: 6 / Details: pH 6.0 | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 108 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Jun 1, 1996 / Details: MIRRORS |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→50 Å / Num. obs: 30444 / % possible obs: 87 % / Observed criterion σ(I): 3 / Redundancy: 7.8 % / Biso Wilson estimate: 15.4 Å2 / Rsym value: 0.075 / Net I/σ(I): 34 |
Reflection shell | Resolution: 2→2.13 Å / Rsym value: 0.132 / % possible all: 60 |
Reflection | *PLUS Num. measured all: 248934 / Rmerge(I) obs: 0.075 |
Reflection shell | *PLUS Rmerge(I) obs: 0.138 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1CSE AND 1SPB Resolution: 2→20 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 513244.98 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 3 Details: BULK SOLVENT MODEL USED DATA CUTOFF HIGH (ABS(F)) : 513244.98 DATA CUTOFF LOW (ABS(F)) : 0.000000
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Displacement parameters | Biso mean: 19.6 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.015 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.3 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.174 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.15 |