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- PDB-1llf: Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1llf | |||||||||
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Title | Cholesterol Esterase (Candida Cylindracea) Crystal Structure at 1.4A resolution | |||||||||
![]() | Lipase 3 | |||||||||
![]() | HYDROLASE / Candida cylindracea cholesterol esterase / sterol ester acylhydrolase | |||||||||
Function / homology | ![]() triacylglycerol lipase / triacylglycerol lipase activity / lipid catabolic process / cholesterol metabolic process Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Pletnev, V. / Addlagatta, A. / Wawrzak, Z. / Duax, W. | |||||||||
![]() | ![]() Title: Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution. Authors: Pletnev, V. / Addlagatta, A. / Wawrzak, Z. / Duax, W. #1: ![]() Title: Structure of uncomplexed and linoleate-bound Candida cylindracea cholesterol esterase Authors: Ghosh, D. / Wawrzak, Z. / Pletnev, V.Z. / Li, N. / Kaiser, R. / Pangborn, W. / Jornvall, H. / Erman, M. / Duax, W.L. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 629.7 KB | Display | ![]() |
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PDB format | ![]() | 525.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.9 MB | Display | ![]() |
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Full document | ![]() | 1.9 MB | Display | |
Data in XML | ![]() | 48.8 KB | Display | |
Data in CIF | ![]() | 74.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1cleS 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: 57343.492 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() References: UniProt: p32947, UniProt: Q6S5M9*PLUS, triacylglycerol lipase #2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.48 Å3/Da / Density % sol: 50.46 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.3 Details: PEG 3350, potassium phosphate, detergent Thesit, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||
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: MARRESEARCH / Detector: CCD / Date: Feb 15, 2001 / Details: focusing mirrors |
Radiation | Monochromator: double crystal Si monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→30 Å / Num. all: 206525 / Num. obs: 206525 / % possible obs: 90.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 6.9 % / Rmerge(I) obs: 0.087 / Net I/σ(I): 14 |
Reflection shell | Resolution: 1.4→1.5 Å / Rmerge(I) obs: 0.178 / Mean I/σ(I) obs: 7.8 / Num. unique all: 35868 / % possible all: 88 |
Reflection | *PLUS Lowest resolution: 30 Å / Num. measured all: 1424531 |
Reflection shell | *PLUS % possible obs: 88 % / Mean I/σ(I) obs: 7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1CLE Resolution: 1.4→30 Å / Isotropic thermal model: anisotropic / Cross valid method: Free R / σ(F): 0 / σ(I): 0 / Stereochemistry target values: SHELDRICK Details: Konnert-Hendrickson conjugate gradient least squares algorithm
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Refine analyze | Luzzati coordinate error obs: 0.1 Å / Luzzati d res low obs: 5 Å | ||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→30 Å
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Refine LS restraints |
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LS refinement shell |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS % reflection Rfree: 5 % | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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