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- PDB-1afs: RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALP... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1afs | ||||||
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Title | RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE | ||||||
![]() | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE | ||||||
![]() | OXIDOREDUCTASE / NAD | ||||||
Function / homology | ![]() 3alpha-hydroxysteroid 3-dehydrogenase (Si-specific) / androsterone dehydrogenase (B-specific) activity / steroid dehydrogenase activity / androsterone dehydrogenase activity / ketosteroid monooxygenase activity / progesterone metabolic process / daunorubicin metabolic process / doxorubicin metabolic process / bile acid binding / aldose reductase (NADPH) activity ...3alpha-hydroxysteroid 3-dehydrogenase (Si-specific) / androsterone dehydrogenase (B-specific) activity / steroid dehydrogenase activity / androsterone dehydrogenase activity / ketosteroid monooxygenase activity / progesterone metabolic process / daunorubicin metabolic process / doxorubicin metabolic process / bile acid binding / aldose reductase (NADPH) activity / prostaglandin metabolic process / steroid metabolic process / hippocampus development / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Bennett, M.J. / Albert, R.H. / Jez, J.M. / Ma, H. / Penning, T.M. / Lewis, M. | ||||||
![]() | ![]() Title: Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase. Authors: Bennett, M.J. / Albert, R.H. / Jez, J.M. / Ma, H. / Penning, T.M. / Lewis, M. #1: ![]() Title: Structure of 3 Alpha-Hydroxysteroid/Dihydrodiol Dehydrogenase Complexed with Nadp+ Authors: Bennett, M.J. / Schlegel, B.P. / Jez, J.M. / Penning, T.M. / Lewis, M. #2: ![]() Title: Three-Dimensional Structure of Rat Liver 3 Alpha-Hydroxysteroid/Dihydrodiol Dehydrogenase: A Member of the Aldo-Keto Reductase Superfamily Authors: Hoog, S.S. / Pawlowski, J.E. / Alzari, P.M. / Penning, T.M. / Lewis, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 141.7 KB | Display | ![]() |
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PDB format | ![]() | 112.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 625.8 KB | Display | ![]() |
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Full document | ![]() | 633.7 KB | Display | |
Data in XML | ![]() | 14.9 KB | Display | |
Data in CIF | ![]() | 21.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1lwiS 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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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.956096, -0.220739, -0.192756), Vector: |
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Components
#1: Protein | Mass: 37192.648 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() References: UniProt: P23457, 3alpha-hydroxysteroid 3-dehydrogenase (Si-specific) #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.66 % | ||||||||||||||||||||
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Crystal grow | pH: 6.4 / Details: pH 6.4 | ||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 1, 1996 / Details: SUPPER DOUBLE MIRRORS |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. obs: 26156 / % possible obs: 98.2 % / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Rmerge(I) obs: 0.093 / Net I/σ(I): 18 |
Reflection shell | Resolution: 2.5→2.7 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.327 / Mean I/σ(I) obs: 4.3 / % possible all: 92.7 |
Reflection shell | *PLUS % possible obs: 92.7 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1LWI Resolution: 2.5→8 Å / Data cutoff high absF: 100000 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 28 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→8 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINTS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.5→2.7 Å / Total num. of bins used: 6 /
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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