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- PDB-5nr2: Crystal structure of the ferric enterobactin receptor (PfeA) from... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5nr2 | ||||||
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Title | Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa in complex with azotochelin | ||||||
![]() | Ferric enterobactin receptor | ||||||
![]() | MEMBRANE PROTEIN / PfeA / PA2688 / outer membrane receptor / azotochelin | ||||||
Function / homology | ![]() enterobactin transmembrane transporter activity / enterobactin transport / colicin transmembrane transporter activity / siderophore transmembrane transport / siderophore transport / siderophore uptake transmembrane transporter activity / outer membrane / enterobactin binding / cell outer membrane / signaling receptor activity Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Moynie, L. / Naismith, J.H. | ||||||
![]() | ![]() Title: The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model. Authors: Moynie, L. / Milenkovic, S. / Mislin, G.L.A. / Gasser, V. / Malloci, G. / Baco, E. / McCaughan, R.P. / Page, M.G.P. / Schalk, I.J. / Ceccarelli, M. / Naismith, J.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 289.5 KB | Display | ![]() |
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PDB format | ![]() | 236 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 783.9 KB | Display | ![]() |
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Full document | ![]() | 797.6 KB | Display | |
Data in XML | ![]() | 25.4 KB | Display | |
Data in CIF | ![]() | 34.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5m9bC ![]() 5mzsC ![]() 5nc4C ![]() 5outC ![]() 6i2jC ![]() 6q5eC ![]() 6r1fC ![]() 1m9kS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 78744.453 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-95B / |
#4: Chemical | ChemComp-EDO / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.55 Å3/Da / Density % sol: 65.39 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion / pH: 6.5 / Details: PEG 8000, ADA, Magnesium acetate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Aug 6, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 2.78→86.64 Å / Num. obs: 28035 / % possible obs: 99.9 % / Redundancy: 7.3 % / CC1/2: 0.999 / Rmerge(I) obs: 0.048 / Net I/σ(I): 20.8 |
Reflection shell | Resolution: 2.78→2.85 Å / Redundancy: 7.3 % / Rmerge(I) obs: 1.057 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 2036 / CC1/2: 0.677 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1m9k Resolution: 2.78→86.64 Å / Cor.coef. Fo:Fc: 0.876 / Cor.coef. Fo:Fc free: 0.922 / SU B: 34.384 / SU ML: 0.3 / Cross valid method: THROUGHOUT / ESU R: 0.655 / ESU R Free: 0.331 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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 mean: 107.054 Å2
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Refinement step | Cycle: 1 / Resolution: 2.78→86.64 Å
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Refine LS restraints |
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