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- PDB-1x96: Crystal structure of Aldose Reductase with citrates bound in the ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1x96 | ||||||
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Title | Crystal structure of Aldose Reductase with citrates bound in the active site | ||||||
![]() | aldose reductase![]() | ||||||
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Function / homology | ![]() glyceraldehyde oxidoreductase activity / Fructose biosynthesis / fructose biosynthetic process / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | El-Kabbani, O. / Darmanin, C. / Oka, M. / Schulze-Briese, C. / Tomizaki, T. / Hazemann, I. / Mitschler, A. / Podjarny, A. | ||||||
![]() | ![]() Title: High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor Authors: El-Kabbani, O. / Darmanin, C. / Oka, M. / Schulze-Briese, C. / Tomizaki, T. / Hazemann, I. / Mitschler, A. / Podjarny, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 95.5 KB | Display | ![]() |
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PDB format | ![]() | 71.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1x97C ![]() 1x98C ![]() 1pwmS 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: 35898.340 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-NAP / ![]() | ||
#3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.82 Å3/Da / Density % sol: 34.6 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5 Details: PEG 6000, AMMONIUM CITRATE, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jun 3, 2002 / Details: mirrors |
Radiation | Monochromator: mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.4→20 Å / Num. all: 75461 / Num. obs: 64665 / % possible obs: 85.69 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 2 / Redundancy: 4 % / Rmerge(I) obs: 0.03 / Net I/σ(I): 38.5 |
Reflection shell | Resolution: 1.4→1.46 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.039 / Mean I/σ(I) obs: 7.1 / % possible all: 82 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1PWM Resolution: 1.4→10 Å / σ(F): 4 / Stereochemistry target values: Engh & Huber
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Refine analyze | Luzzati coordinate error obs: 0.066 Å | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→10 Å
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Refine LS restraints |
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