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- PDB-1ga1: CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL P... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ga1 | ||||||
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Title | CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF IODOTYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003) | ||||||
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![]() | HYDROLASE/HYDROLASE INHIBITOR / SERINE-CARBOXYL PROTEINASE / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Dauter, Z. / Li, M. / Wlodawer, A. | ||||||
![]() | ![]() Title: Practical experience with the use of halides for phasing macromolecular structures: a powerful tool for structural genomics. Authors: Dauter, Z. / Li, M. / Wlodawer, A. #1: ![]() Title: Carboxyl Proteinase from Pseudomonas Defines a Novel Family of Subtilisin-like Enzymes Authors: Wlodawer, A. / Li, M. / Dauter, Z. / Gustchina, A. / Uchida, K. / Oyama, H. / Dunn, B.M. / Oda, K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 166.9 KB | Display | ![]() |
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PDB format | ![]() | 137.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | |
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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 on special symmetry positions |
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Components
-Protein / Protein/peptide , 2 types, 2 molecules AI
#1: Protein | Mass: 38446.191 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
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#2: Protein/peptide | Mass: 461.296 Da / Num. of mol.: 1 / Mutation: T2(PHI) / Source method: obtained synthetically / Details: The inhibitor was chemically synthesized. |
-Non-polymers , 4 types, 425 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-CA / |
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#4: Chemical | ChemComp-CL / ![]() |
#5: Chemical | ChemComp-GOL / ![]() |
#6: Water | ChemComp-HOH / ![]() |
-Details
Compound details | TYROSTATIN IS A NATURAL INHIBITOR, COMPOSED OF ISOVALERYL-TYROSYL-LEUSYL-TYROSINAL. IN 1GA1 AND ...TYROSTATIN |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.92 Å3/Da / Density % sol: 57.88 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1 M sodium chloride, 5 mM calcium chloride, 1.4 M lithium sulfate, 0.1 M Tris buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 4.8 | ||||||||||||||||||||||||||||||||||||||||||
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: May 3, 2000 / Details: focussing mirror |
Radiation | Monochromator: Si(111) double crystal, sagitally focussing / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.4→30 Å / Num. all: 87947 / Num. obs: 87947 / % possible obs: 99.9 % / Observed criterion σ(F): -3 / Observed criterion σ(I): -3 / Redundancy: 7.7 % / Biso Wilson estimate: 12.2 Å2 / Rmerge(I) obs: 0.036 / Net I/σ(I): 50.2 |
Reflection shell | Resolution: 1.4→1.45 Å / Redundancy: 7.7 % / Rmerge(I) obs: 0.216 / Mean I/σ(I) obs: 7 / Num. unique all: 8711 / % possible all: 99.5 |
Reflection | *PLUS Num. measured all: 677827 |
Reflection shell | *PLUS % possible obs: 99.5 % |
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Processing
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Refinement | Method to determine structure![]() Resolution: 1.4→30 Å / σ(F): -999 / σ(I): -999 / Stereochemistry target values: Engh & Huber Details: Anisotropic refinement of individual atoms. Parameter errors estimated from least-squares blocked full-matrix inversion.
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Refinement step | Cycle: LAST / Resolution: 1.4→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.4→30 Å
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | ||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 30 Å / % reflection Rfree: 0.1129 % | ||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||
Displacement parameters | *PLUS |