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- PDB-4x5q: Crystal structure of FimH in complex with 5-nitro-indolinylphenyl... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4x5q | ||||||
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Title | Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | ||||||
![]() | Protein FimH | ||||||
![]() | SUGAR BINDING PROTEIN / Bacterial Adhesin / Pilus / UPEC / Antagonist Complex | ||||||
Function / homology | ![]() pilus tip / mechanosensory behavior / cell adhesion involved in single-species biofilm formation / pilus / cell-substrate adhesion / D-mannose binding / host cell membrane / cell adhesion Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Preston, R.C. / Jakob, R.P. / Fiege, B. / Zihlmann, P. / Rabbani, S. / Schwardt, O. / Jiang, X. / Ernst, B. / Maier, T. | ||||||
Funding support | ![]()
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![]() | ![]() Title: The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Authors: Fiege, B. / Rabbani, S. / Preston, R.C. / Jakob, R.P. / Zihlmann, P. / Schwardt, O. / Jiang, X. / Maier, T. / Ernst, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 119.8 KB | Display | ![]() |
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PDB format | ![]() | 94.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 559.5 KB | Display | ![]() |
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Full document | ![]() | 559.4 KB | Display | |
Data in XML | ![]() | 12.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4x50C ![]() 4x5pC ![]() 4x5rC ![]() 1uwfS 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: 17087.039 Da / Num. of mol.: 1 / Fragment: UNP residues 22-180 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-3XN / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.45 Å3/Da / Density % sol: 49.8 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.7 Details: 20% PEG 3,350, 0.2 M sodium phosphate monobasic monohydrate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Nov 23, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.12→28.08 Å / Num. obs: 60363 / % possible obs: 92.4 % / Redundancy: 6.2 % / Rmerge(I) obs: 0.023 / Net I/σ(I): 39.9 |
Reflection shell | Resolution: 1.12→1.16 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.19 / Mean I/σ(I) obs: 7.1 / % possible all: 72.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1UWF Resolution: 1.12→28.08 Å / SU ML: 0.06 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 10.41 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.12→28.08 Å
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Refine LS restraints |
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LS refinement shell |
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