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- PDB-1fdt: HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1fdt | ||||||
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Title | HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRADIOL AND NADP+ | ||||||
![]() | 17-BETA-HYDROXYSTEROID-DEHYDROGENASE | ||||||
![]() | DEHYDROGENASE / 17-BETA-HYDROXYSTEROID | ||||||
Function / homology | ![]() estradiol binding / 3(or 17)beta-hydroxysteroid dehydrogenase / 17-beta-hydroxysteroid dehydrogenase (NADP+) activity / estrogen biosynthetic process / testosterone dehydrogenase [NAD(P)+] activity / cellular response to metal ion / Estrogen biosynthesis / dihydrotestosterone 17-beta-dehydrogenase activity / testosterone biosynthetic process / testosterone dehydrogenase (NAD+) activity ...estradiol binding / 3(or 17)beta-hydroxysteroid dehydrogenase / 17-beta-hydroxysteroid dehydrogenase (NADP+) activity / estrogen biosynthetic process / testosterone dehydrogenase [NAD(P)+] activity / cellular response to metal ion / Estrogen biosynthesis / dihydrotestosterone 17-beta-dehydrogenase activity / testosterone biosynthetic process / testosterone dehydrogenase (NAD+) activity / testosterone 17-beta-dehydrogenase (NADP+) activity / 17beta-estradiol 17-dehydrogenase / estradiol 17-beta-dehydrogenase [NAD(P)+] activity / steroid biosynthetic process / estrogen metabolic process / NADP+ binding / lysosome organization / The canonical retinoid cycle in rods (twilight vision) / small molecule binding / catalytic activity / adipose tissue development / skeletal muscle tissue development / steroid binding / bone development / NADP binding / gene expression / protein homodimerization activity / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Housset, D. / Breton, R. / Mazza, C. / Fontecilla-Camps, J.-C. | ||||||
![]() | ![]() Title: The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors. Authors: Breton, R. / Housset, D. / Mazza, C. / Fontecilla-Camps, J.C. #1: ![]() Title: Structure of Human Estrogenic 17 Beta-Beta-Hydroxysteroid Dehydrogenase at 2.20 A Resolution Authors: Ghosh, D. / Pletnev, V.Z. / Zhu, D.W. / Wawrzak, Z. / Duax, W.L. / Pangborn, W. / Labrie, F. / 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 | ![]() | 74.8 KB | Display | ![]() |
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PDB format | ![]() | 55.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 529.1 KB | Display | ![]() |
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Full document | ![]() | 538.6 KB | Display | |
Data in XML | ![]() | 9.3 KB | Display | |
Data in CIF | ![]() | 13.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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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Components on special symmetry positions |
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Components
#1: Protein | Mass: 34973.945 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() References: UniProt: P14061, 17beta-estradiol 17-dehydrogenase |
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#2: Chemical | ChemComp-SO4 / |
#3: Chemical | ChemComp-EST / |
#4: Chemical | ChemComp-NAP / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 48 % / Description: R MERGE BETWEEN THE TWO DATA SETS: 0.078 | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Method: vapor diffusion, hanging drop / Details: Zhu, D.-W., (1993) J. Mol. Biol., 234, 242. | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 130 K |
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Diffraction source | Source: ![]() |
Detector | Type: XENTRONICS / Detector: AREA DETECTOR / Date: Feb 1, 1995 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.15→40 Å / Num. obs: 13157 / % possible obs: 73.6 % / Observed criterion σ(I): 0 / Redundancy: 2.2 % / Rsym value: 0.058 / Net I/σ(I): 14.8 |
Reflection shell | Resolution: 2.15→2.34 Å / Mean I/σ(I) obs: 2 / Rsym value: 0.39 |
Reflection | *PLUS Num. measured all: 29073 / Rmerge(I) obs: 0.058 |
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Processing
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Refinement | Resolution: 2.2→10 Å / σ(F): 2 Details: THE OCCUPANCY OF RESIDUE 360 (NADP+) HAS BEEN SET TO 0.5, ACCORDING TO ELECTRON DENSITY AND B-FACTOR. THE RIBOSE PUCKER (C2'-ENDO) HAS BEEN CONSTRAINED THROUGH DIHEDRAL CONSTRAINT SPECIFIED IN THE INPUT FILE.
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Displacement parameters | Biso mean: 19.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.24 Å
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: x_improper_angle_deg / Dev ideal: 1.63 |