+Open data
-Basic information
Entry | Database: PDB / ID: 8bjd | ||||||
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Title | Full length structure of LpMIP with bound inhibitor JK095 | ||||||
Components | Peptidyl-prolyl cis-trans isomeraseProlyl isomerase | ||||||
Keywords | STRUCTURAL PROTEIN / Macrophage / potentiator / soluble / protein. | ||||||
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 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Whittaker, J.J. / Guskov, A. / Goretzki, B. / Hellmich, U.A. | ||||||
Funding support | Germany, 1items
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Citation | Journal: Int.J.Biol.Macromol. / Year: 2023 Title: Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Authors: Wiedemann, C. / Whittaker, J.J. / Perez Carrillo, V.H. / Goretzki, B. / Dajka, M. / Tebbe, F. / Harder, J.M. / Krajczy, P.R. / Joseph, B. / Hausch, F. / Guskov, A. / Hellmich, U.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8bjd.cif.gz | 57.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8bjd.ent.gz | 38.3 KB | Display | PDB format |
PDBx/mmJSON format | 8bjd.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bj/8bjd ftp://data.pdbj.org/pub/pdb/validation_reports/bj/8bjd | HTTPS FTP |
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-Related structure data
Related structure data | 8bjcC 8bjeC 8bk4C 8bk5C 8bk6C 1fd9S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 22409.562 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Legionella pneumophila (bacteria) / Gene: C3927_03235 / Production host: Escherichia coli (E. coli) / Strain (production host): BL23 (DE3) / References: UniProt: A0A2S6FAG4, peptidylprolyl isomerase |
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-Non-polymers , 5 types, 20 molecules
#2: Chemical | ChemComp-9QN / ( | ||||
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#3: Chemical | ChemComp-MES / | ||||
#4: Chemical | #5: Chemical | ChemComp-GOL / | #6: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.32 Å3/Da / Density % sol: 62.9 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 15 %(w/v) PEG 6000, 500 mM zinc acetate dihydrate, 100 mM MES, pH 6.5. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.9763 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 15, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→61.67 Å / Num. obs: 19644 / % possible obs: 99.91 % / Redundancy: 8 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 11.1 |
Reflection shell | Resolution: 2.4→2.486 Å / Rmerge(I) obs: 0.08 / Num. unique obs: 1218 / % possible all: 99.75 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1FD9 Resolution: 2.4→52.24 Å / Cross valid method: FREE R-VALUE
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Refinement step | Cycle: LAST / Resolution: 2.4→52.24 Å
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