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- PDB-1qyw: Crystal structure of human estrogenic 17beta-hydroxysteroid dehyd... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1qyw | ||||||
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Title | Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstanedione and 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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Remark 600 | HETEROGEN Several atoms belonging to Nicotinamide part of HETNAM 'NAP' could not be modeled and are ...HETEROGEN Several atoms belonging to Nicotinamide part of HETNAM 'NAP' could not be modeled and are missing from the coordinates |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 68.8 KB | Display | ![]() |
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PDB format | ![]() | 53.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 363.6 KB | Display | ![]() |
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Full document | ![]() | 404.3 KB | Display | |
Data in XML | ![]() | 8.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1qyvC ![]() 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 generated 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-5SD / ![]() |
#3: Chemical | ChemComp-NAP / ![]() |
#4: Chemical | ChemComp-GOL / ![]() |
#5: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.31 Å3/Da / Density % sol: 46.79 % |
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Crystal grow![]() | Temperature: 300 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: PEG 4000, magnisum chloride, beta-octylglucoside, HEPES, glycerol, soaking with dihydrotestosterone and 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 12, 2001 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.63→20 Å / Num. obs: 38394 / % possible obs: 95.3 % / Observed criterion σ(I): 2 / Redundancy: 2.53 % / Biso Wilson estimate: 24.1 Å2 / Rmerge(I) obs: 0.044 |
Reflection shell | Resolution: 1.63→1.69 Å / Redundancy: 2.47 % / Rmerge(I) obs: 0.454 / Mean I/σ(I) obs: 2 / Num. unique all: 3886 / % possible all: 98 |
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Processing
Software |
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Refinement | Method to determine structure![]() ![]() Starting model: PDB entry 1JTV Resolution: 1.63→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: 32.9 Å2 | ||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.63→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.63→1.701 Å
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