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Yorodumi- PDB-1bkf: FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSU... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1bkf | ||||||
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Title | FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506 | ||||||
Components | FK506 BINDING PROTEINFKBP | ||||||
Keywords | ISOMERASE / ROTAMASE | ||||||
Function / homology | Function and homology information 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 / 'de novo' protein folding / ventricular cardiac muscle tissue morphogenesis / 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 / supramolecular fiber organization / heart morphogenesis / regulation of ryanodine-sensitive calcium-release channel activity / sarcoplasmic reticulum membrane / T cell activation / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / sarcoplasmic reticulum / peptidylprolyl isomerase / 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 / Potential therapeutics for SARS / amyloid fibril formation / membrane / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.6 Å | ||||||
Authors | Itoh, S. / Decenzo, M.T. / Livingston, D.J. / Pearlman, D.A. / Navia, M.A. | ||||||
Citation | Journal: Bioorg.Med.Chem.Lett. / Year: 1995 Title: Conformation of Fk506 in X-Ray Structures of its Complexes with Human Recombinant Fkbp12 Mutants Authors: Itoh, S. / Decenzo, M.T. / Livingston, D.J. / Pearlman, D.A. / Navia, M.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1bkf.cif.gz | 36.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1bkf.ent.gz | 24 KB | Display | PDB format |
PDBx/mmJSON format | 1bkf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bk/1bkf ftp://data.pdbj.org/pub/pdb/validation_reports/bk/1bkf | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 11769.478 Da / Num. of mol.: 1 / Mutation: R42K, H87V Source method: isolated from a genetically manipulated source Details: COMPLEXED WITH IMMUNOSUPPRESSANT FK506 / Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) / References: UniProt: P62942, peptidylprolyl isomerase |
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#2: Chemical | ChemComp-FK5 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.03 Å3/Da / Density % sol: 39.29 % | ||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 5.9 / Method: vapor diffusion, hanging drop / Details: van Duyne, G. D., (1991) Science, 252, 839. | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Wavelength: 1.5418 |
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Detector | Type: SIEMENS |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→6 Å / Num. obs: 11511 / % possible obs: 88.5 % / Observed criterion σ(I): 3 / Rmerge(I) obs: 0.0348 / Net I/σ(I): 3 |
-Processing
Software |
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Refinement | Resolution: 1.6→6 Å / σ(F): 3 /
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Refinement step | Cycle: LAST / Resolution: 1.6→6 Å
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Refine LS restraints |
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Xplor file |
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Software | *PLUS Name: X-PLOR / Version: 3 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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