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Yorodumi- PDB-2vcd: Solution structure of the FKBP-domain of Legionella pneumophila M... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2vcd | ||||||
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Title | Solution structure of the FKBP-domain of Legionella pneumophila Mip in complex with rapamycin | ||||||
Components | Outer membrane protein MIP | ||||||
Keywords | ISOMERASE / MIP / FKBP / PPIASE / MEMBRANE / ROTAMASE / SIROLIMUS / VIRULENCE / RAPAMYCIN / FKBP-DOMAIN / OUTER MEMBRANE / LEGIONNAIRES DISEASE / MACROLIDE ANTIBIOTIC / LEGIONELLA PNEUMOPHILA | ||||||
Function / homology | Function and homology information peptidylprolyl isomerase / peptidyl-prolyl cis-trans isomerase activity / cell outer membrane / protein folding Similarity search - Function | ||||||
Biological species | Legionella pneumophila subsp. pneumophila (bacteria) | ||||||
Method | SOLUTION NMR / ARIA, SIMULATED ANNEALING | ||||||
Authors | Ceymann, A. / Horstmann, M. / Ehses, P. / Schweimer, K. / Paschke, A.-K. / Fischer, G. / Roesch, P. / Faber, C. | ||||||
Citation | Journal: BMC Struct. Biol. / Year: 2008 Title: Solution structure of the Legionella pneumophila Mip-rapamycin complex. Authors: Ceymann, A. / Horstmann, M. / Ehses, P. / Schweimer, K. / Paschke, A.K. / Steinert, M. / Faber, C. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2vcd.cif.gz | 662.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2vcd.ent.gz | 555.4 KB | Display | PDB format |
PDBx/mmJSON format | 2vcd.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vc/2vcd ftp://data.pdbj.org/pub/pdb/validation_reports/vc/2vcd | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 14667.702 Da / Num. of mol.: 1 / Fragment: FRAGMENT: FKBP DOMAIN, RESIDUES 97-233 Source method: isolated from a genetically manipulated source Details: SURFACE PROTEIN Source: (gene. exp.) Legionella pneumophila subsp. pneumophila (strain Philadelphia 1 / ATCC 33152 / DSM 7513) (bacteria) Strain: Philadelphia 1 / ATCC 33152 / DSM 7513 Description: ALVEOLAR MACROPHAGES CAN BE HOSTS OF LEGIONELLA PNEUMOPHILA Gene: mip, lpg0791 / Production host: Escherichia coli (E. coli) / References: UniProt: Q5ZXE0, peptidylprolyl isomerase |
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#2: Chemical | ChemComp-RAP / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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NMR details | Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED MIP. |
-Sample preparation
Details | Contents: 90 % H2O AND 10 % D2O |
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Sample conditions | Ionic strength: 20 mM / pH: 6.5 / Pressure: 1.0 atm / Temperature: 298.0 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: ARIA, SIMULATED ANNEALING / Software ordinal: 1 | ||||||||||||
NMR ensemble | Conformer selection criteria: LOWEST ENERGY / Conformers calculated total number: 80 / Conformers submitted total number: 16 |