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Open data
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Basic information
Entry | Database: PDB / ID: 1a7x | ||||||
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Title | FKBP12-FK1012 COMPLEX | ||||||
![]() | FKBP12 | ||||||
![]() | ISOMERASE / IMMUNOPHILIN | ||||||
Function / homology | ![]() macrolide binding / activin receptor binding / cytoplasmic side of membrane / signaling receptor inhibitor activity / transforming growth factor beta receptor binding / TGFBR1 LBD Mutants in Cancer / type I transforming growth factor beta receptor binding / negative regulation of activin receptor signaling pathway / heart trabecula formation / terminal cisterna ...macrolide binding / activin receptor binding / cytoplasmic side of membrane / signaling receptor inhibitor activity / transforming growth factor beta receptor binding / TGFBR1 LBD Mutants in Cancer / type I transforming growth factor beta receptor binding / negative regulation of activin receptor signaling pathway / heart trabecula formation / terminal cisterna / ryanodine receptor complex / I-SMAD binding / regulation of amyloid precursor protein catabolic process / protein maturation by protein folding / ventricular cardiac muscle tissue morphogenesis / 'de novo' protein folding / negative regulation of phosphoprotein phosphatase activity / FK506 binding / mTORC1-mediated signalling / TGF-beta receptor signaling activates SMADs / Calcineurin activates NFAT / regulation of immune response / protein peptidyl-prolyl isomerization / heart morphogenesis / supramolecular fiber organization / regulation of ryanodine-sensitive calcium-release channel activity / sarcoplasmic reticulum membrane / T cell activation / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / peptidylprolyl isomerase / sarcoplasmic reticulum / peptidyl-prolyl cis-trans isomerase activity / calcium ion transmembrane transport / negative regulation of transforming growth factor beta receptor signaling pathway / Z disc / SARS-CoV-1 activates/modulates innate immune responses / regulation of protein localization / protein folding / positive regulation of protein binding / protein refolding / positive regulation of canonical NF-kappaB signal transduction / transmembrane transporter binding / amyloid fibril formation / Potential therapeutics for SARS / membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Schultz, L.W. / Clardy, J. | ||||||
![]() | ![]() Title: Chemical inducers of dimerization: the atomic structure of FKBP12-FK1012A-FKBP12. Authors: Schultz, L.W. / Clardy, J. #1: ![]() Title: Atomic Structure of Fkbp-Fk506, an Immunophilin-Immunosuppressant Complex Authors: Van Duyne, G.D. / Standaert, R.F. / Karplus, P.A. / Schreiber, S.L. / Clardy, J. #2: ![]() Title: Molecular Cloning and Overexpression of the Human Fk506-Binding Protein Fkbp Authors: Standaert, R.F. / Galat, A. / Verdine, G.L. / Schreiber, S.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 68.3 KB | Display | ![]() |
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PDB format | ![]() | 50.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 473.9 KB | Display | ![]() |
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Full document | ![]() | 476.7 KB | Display | |
Data in XML | ![]() | 6.6 KB | Display | |
Data in CIF | ![]() | 10.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1fkfS 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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 11836.508 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-FKA / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 50 % | |||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 4.6 Details: A 10MG/ML SOLUTION OF FK1012A IN MEOH WAS ADDED IN A 1:2 MOLAR RATIO TO A 10MG/ML SOLUTION OF FKBP12 IN 10MM TRIS PH 8.2. THE SAMPLE WAS GENTLY MIXED AND ALLOWED TO INCUBATE OVERNIGHT TO ...Details: A 10MG/ML SOLUTION OF FK1012A IN MEOH WAS ADDED IN A 1:2 MOLAR RATIO TO A 10MG/ML SOLUTION OF FKBP12 IN 10MM TRIS PH 8.2. THE SAMPLE WAS GENTLY MIXED AND ALLOWED TO INCUBATE OVERNIGHT TO ENSURE COMPLETE BINDING. CRYSTALS WERE GROWN USING THE HANGING DROP METHOD WITH 0.5ML RESERVOIR CONSISTING OF 5.1M SODIUM FORMATE AND 0.1M SODIUM ACETATE PH 4.6. THE DROPS CONSISTED OF 3UL OF PROTEIN AND 3UL OF RESERVOIR SOLUTION., vapor diffusion - hanging drop PH range: 5.1-8.2 | |||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging dropDetails: drop contains equal volume of the reservoir solution | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 294 K |
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Diffraction source | Source: ![]() |
Detector | Type: XUONG-HAMLIN MULTIWIRE / Detector: AREA DETECTOR / Date: Apr 10, 1995 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→20 Å / Num. obs: 15896 / % possible obs: 91 % / Observed criterion σ(I): 2 / Redundancy: 2 % / Rsym value: 0.046 / Net I/σ(I): 14 |
Reflection | *PLUS Rmerge(I) obs: 0.046 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1FKF Resolution: 2→8 Å / σ(F): 2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→8 Å
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Refine LS restraints |
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.173 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |