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- PDB-6tx9: CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPL... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6tx9 | ||||||
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Title | CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH HYDANTOIN | ||||||
![]() | Peptidyl-prolyl cis-trans isomerase FKBP5 | ||||||
![]() | ISOMERASE / PPIase / Fragment | ||||||
Function / homology | ![]() FK506 binding / MECP2 regulates neuronal receptors and channels / chaperone-mediated protein folding / heat shock protein binding / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / ESR-mediated signaling / peptidylprolyl isomerase / peptidyl-prolyl cis-trans isomerase activity / response to bacterium / protein folding ...FK506 binding / MECP2 regulates neuronal receptors and channels / chaperone-mediated protein folding / heat shock protein binding / HSP90 chaperone cycle for steroid hormone receptors (SHR) in the presence of ligand / ESR-mediated signaling / peptidylprolyl isomerase / peptidyl-prolyl cis-trans isomerase activity / response to bacterium / protein folding / protein-macromolecule adaptor activity / extracellular exosome / nucleoplasm / membrane / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Fiegen, D. / Draxler, S.W. | ||||||
![]() | ![]() Title: Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. Authors: Draxler, S.W. / Bauer, M. / Eickmeier, C. / Nadal, S. / Nar, H. / Rangel Rojas, D. / Seeliger, D. / Zeeb, M. / Fiegen, D. #1: ![]() Title: Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90. Authors: Bracher, A. / Kozany, C. / Thosta, A.-K. / Hauschb, F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 75.8 KB | Display | ![]() |
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PDB format | ![]() | 54.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6tx4C ![]() 6tx5C ![]() 6tx6C ![]() 6tx7C ![]() 6tx8C ![]() 6txxC ![]() 3o5qS 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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Components
#1: Protein | Mass: 14026.077 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-HYN / | ||||
#3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 47.07 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 28-41% PEG3350, 0.2 M NH4OAc, 0.1 M HEPES |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jul 24, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0332 Å / Relative weight: 1 |
Reflection | Resolution: 1.415→56.73 Å / Num. obs: 25620 / % possible obs: 100 % / Redundancy: 6.4 % / Rmerge(I) obs: 0.048 / Rpim(I) all: 0.021 / Net I/σ(I): 19.6 |
Reflection shell | Resolution: 1.415→1.44 Å / Rmerge(I) obs: 0.662 / Mean I/σ(I) obs: 2.3 / Num. unique obs: 1252 / Rpim(I) all: 0.284 / % possible all: 98.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3o5q Resolution: 1.42→16.45 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.951 / SU R Cruickshank DPI: 0.059 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.067 / SU Rfree Blow DPI: 0.066 / SU Rfree Cruickshank DPI: 0.061
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Displacement parameters | Biso mean: 20.96 Å2
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Refine analyze | Luzzati coordinate error obs: 0.15 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.42→16.45 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.42→1.44 Å
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Refinement TLS params. | Origin x: 9.0717 Å / Origin y: -12.3711 Å / Origin z: -9.5169 Å
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Refinement TLS group | Selection details: { A|* } |