[English] 日本語
![](img/lk-miru.gif)
- PDB-2bel: Structure of human 11-beta-hydroxysteroid dehydrogenase in comple... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 2bel | ||||||
---|---|---|---|---|---|---|---|
Title | Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone | ||||||
![]() | CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1 | ||||||
![]() | ![]() ![]() ![]() ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kavanagh, K. / Wu, X. / Svensson, S. / Elleby, B. / von Delft, F. / Debreczeni, J.E. / Sharma, S. / Bray, J. / Edwards, A. / Arrowsmith, C. ...Kavanagh, K. / Wu, X. / Svensson, S. / Elleby, B. / von Delft, F. / Debreczeni, J.E. / Sharma, S. / Bray, J. / Edwards, A. / Arrowsmith, C. / Sundstrom, M. / Abrahmsen, L. / Oppermann, U. | ||||||
![]() | ![]() Title: The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture Authors: Wu, X. / Kavanagh, K. / Svensson, S. / Elleby, B. / Hult, M. / von Delft, F. / Marsden, B. / Jornvall, H. / Abrahmsen, L. / Oppermann, U. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 210.6 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 168 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||||||||||
2 | ![]()
| ||||||||||||||||
Unit cell |
| ||||||||||||||||
Noncrystallographic symmetry (NCS) | NCS oper:
|
-
Components
#1: Protein | Mass: 31105.963 Da / Num. of mol.: 4 / Fragment: RESIDUES 26-284 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: P28845, ![]() #2: Chemical | ChemComp-NAP / ![]() #3: Chemical | ChemComp-CBO / ![]() #4: Chemical | ChemComp-CL / ![]() #5: Water | ChemComp-HOH / | ![]() Compound details | FUNCTION: CATALYZES REVERSIBLY | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46 % |
---|---|
Crystal grow![]() | pH: 5.5 / Details: 0.1 M MGCL2, 15% PEG 3350,, pH 5.50 |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 2, 2004 / Details: MIRRORS |
Radiation | Monochromator: SI 1 1 1 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.1→61.08 Å / Num. obs: 68824 / % possible obs: 97.1 % / Observed criterion σ(I): 0 / Redundancy: 4.7 % / Biso Wilson estimate: 33 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 12.6 |
Reflection shell | Resolution: 2.1→2.21 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 2.1 / % possible all: 84.6 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure![]() ![]() Starting model: UNPUBLISHED MODEL OF HUMAN 11BETA HSD1 Resolution: 2.11→56.52 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.918 / SU B: 15.196 / SU ML: 0.184 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.195 / ESU R Free: 0.183 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38.5 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.11→56.52 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|