+Open data
-Basic information
Entry | Database: PDB / ID: 3uqi | ||||||
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Title | Crystallographic structure of FKBP12 from Aedes aegypti | ||||||
Components | FKBP-type peptidyl-prolyl cis-trans isomerase | ||||||
Keywords | ISOMERASE / FKBP12 / FK506 Binding | ||||||
Function / homology | Function and homology information sarcoplasmic reticulum membrane / peptidylprolyl isomerase / peptidyl-prolyl cis-trans isomerase activity Similarity search - Function | ||||||
Biological species | Aedes aegypti (yellow fever mosquito) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.302 Å | ||||||
Authors | Sreekanth, R. / Saw, K.Q. / Yoon, H.S. | ||||||
Citation | Journal: Protein Sci. / Year: 2012 Title: High-resolution crystal structure of FKBP12 from Aedes aegypti. Authors: Rajan, S. / Saw, K.Q. / Nguyen, Q.T. / Baek, K. / Yoon, H.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3uqi.cif.gz | 57.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3uqi.ent.gz | 41.3 KB | Display | PDB format |
PDBx/mmJSON format | 3uqi.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3uqi_validation.pdf.gz | 440.4 KB | Display | wwPDB validaton report |
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Full document | 3uqi_full_validation.pdf.gz | 440.5 KB | Display | |
Data in XML | 3uqi_validation.xml.gz | 8.1 KB | Display | |
Data in CIF | 3uqi_validation.cif.gz | 10.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uq/3uqi ftp://data.pdbj.org/pub/pdb/validation_reports/uq/3uqi | HTTPS FTP |
-Related structure data
Related structure data | 2ppnS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 11553.063 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aedes aegypti (yellow fever mosquito) / Gene: AAEL007883, AaeL_AAEL007883 / Plasmid: pETSUMO / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q1HR83, peptidylprolyl isomerase |
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#2: Chemical | ChemComp-MPO / |
#3: Chemical | ChemComp-SO4 / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.99 Å3/Da / Density % sol: 38.09 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 100mM MOPS pH 8.0, 3.0M Ammonium Sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 5, 2011 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→30 Å / Num. obs: 23141 / % possible obs: 99.5 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 7.3 % / Biso Wilson estimate: 14.89 Å2 / Rmerge(I) obs: 0.03 / Net I/σ(I): 54.7 |
Reflection shell | Resolution: 1.3→1.35 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.32 / Mean I/σ(I) obs: 4.7 / Num. unique all: 2228 / % possible all: 98.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2PPN Resolution: 1.302→23.867 Å / SU ML: 0.29 / σ(F): 1.37 / Phase error: 16.52 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.49 Å / VDW probe radii: 0.8 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 70.578 Å2 / ksol: 0.428 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.8499 Å2
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Refinement step | Cycle: LAST / Resolution: 1.302→23.867 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 8
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