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- PDB-1qyv: Crystal structure of human estrogenic 17beta-hydroxysteroid dehyd... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1qyv | ||||||
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Title | Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with NADP | ||||||
![]() | Estradiol 17 beta-dehydrogenase 1 | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shi, R. / Lin, S.X. | ||||||
![]() | ![]() Title: Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation. Authors: Shi, R. / Lin, S.X. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 66.6 KB | Display | ![]() |
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PDB format | ![]() | 52.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 330.4 KB | Display | ![]() |
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Full document | ![]() | 337.6 KB | Display | |
Data in XML | ![]() | 8.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1qywC ![]() 1qyxC ![]() 1jtvS 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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1 | ![]()
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Unit cell |
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Details | The second part of the biological assembly is genearated by the two fold axis: -X, Y, -Z. |
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Components
#1: Protein | Mass: 34887.828 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() ![]() References: UniProt: P14061, 17beta-estradiol 17-dehydrogenase |
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#2: Chemical | ChemComp-NAP / ![]() |
#3: Chemical | ChemComp-GOL / ![]() |
#4: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.43 % |
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Crystal grow![]() | Temperature: 300 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: PEG4000, magnisum chloride, beta-octylglucoside, HEPES, glycerol, soaking with NADP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Apr 15, 2000 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.81→40 Å / Num. obs: 28701 / % possible obs: 98.1 % / Observed criterion σ(I): 2 / Redundancy: 3.55 % / Biso Wilson estimate: 21.5 Å2 / Rmerge(I) obs: 0.049 |
Reflection shell | Resolution: 1.81→1.87 Å / Redundancy: 2.82 % / Rmerge(I) obs: 0.397 / Mean I/σ(I) obs: 2 / Num. unique all: 2669 / % possible all: 92.2 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB entry 1JTV Resolution: 1.81→10 Å / Isotropic thermal model: isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 1 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 35.3 Å2 | ||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.81→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.81→1.887 Å
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