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Yorodumi- PDB-6pxy: Crystal structure of ligand-binding domain of Pseudomonas fluores... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6pxy | ||||||
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Title | Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-alanine | ||||||
Components | Putative methyl-accepting chemotaxis protein | ||||||
Keywords | SIGNALING PROTEIN / Bacterial chemotaxis / chemoreceptor / double Cache / ligand binding domain | ||||||
Function / homology | Function and homology information transmembrane signaling receptor activity / chemotaxis / signal transduction / plasma membrane Similarity search - Function | ||||||
Biological species | Pseudomonas fluorescens (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Ud-Din, I.A. / Khan, M.F. / Roujeinikova, A. | ||||||
Funding support | Australia, 1items
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Citation | Journal: Mol.Plant Microbe Interact. / Year: 2020 Title: Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket. Authors: Ud-Din, A.I.M.S. / Khan, M.F. / Roujeinikova, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6pxy.cif.gz | 60.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6pxy.ent.gz | 41.3 KB | Display | PDB format |
PDBx/mmJSON format | 6pxy.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6pxy_validation.pdf.gz | 300.9 KB | Display | wwPDB validaton report |
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Full document | 6pxy_full_validation.pdf.gz | 300.9 KB | Display | |
Data in XML | 6pxy_validation.xml.gz | 1.3 KB | Display | |
Data in CIF | 6pxy_validation.cif.gz | 4.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/px/6pxy ftp://data.pdbj.org/pub/pdb/validation_reports/px/6pxy | HTTPS FTP |
-Related structure data
Related structure data | 6py3C 6py4C 6py5C 6pyiC 6q0fC 6q0gC 3c8cS S: Starting model for refinement C: citing same article (ref.) |
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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 on special symmetry positions |
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-Components
#1: Protein | Mass: 27055.496 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas fluorescens (strain Pf0-1) (bacteria) Strain: Pf0-1 / Gene: Pfl01_4431 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q3K7T6 |
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#2: Chemical | ChemComp-ALA / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.61 Å3/Da / Density % sol: 58.11 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / Details: Ammonium sulfate and Tris-HCl |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9537 Å | ||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Oct 29, 2015 | ||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9537 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||
Reflection | Resolution: 2→37.64 Å / Num. obs: 16753 / % possible obs: 87.1 % / Redundancy: 3.8 % / CC1/2: 0.998 / Rmerge(I) obs: 0.057 / Rpim(I) all: 0.03 / Rrim(I) all: 0.065 / Net I/σ(I): 12 / Num. measured all: 63624 / Scaling rejects: 25 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3C8C Resolution: 2→31.4 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.928 / SU B: 4.356 / SU ML: 0.117 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.197 / ESU R Free: 0.179 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 126.39 Å2 / Biso mean: 40.92 Å2 / Biso min: 21.98 Å2
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Refinement step | Cycle: final / Resolution: 2→31.4 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.052 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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