[English] 日本語
Yorodumi- PDB-4fbo: Crystal structure of the Pseudomonas fluorescens agglutinin (PFA) -
+Open data
-Basic information
Entry | Database: PDB / ID: 4fbo | ||||||
---|---|---|---|---|---|---|---|
Title | Crystal structure of the Pseudomonas fluorescens agglutinin (PFA) | ||||||
Components | Pseudomonas fluorescens agglutinin | ||||||
Keywords | Carbohydrate binding protein / beta-barrel / HIV-inactivating | ||||||
Function / homology | Lipocalin - #450 / OAA-family lectin sugar binding domain / OAA-family lectin sugar binding domain / Lipocalin / carbohydrate binding / Beta Barrel / Mainly Beta / Uncharacterized protein Function and homology information | ||||||
Biological species | Pseudomonas fluorescens (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | ||||||
Authors | Koharudin, L.M.I. / Gronenborn, A.M. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2012 Title: Structural Insights into the Anti-HIV Activity of the Oscillatoria agardhii Agglutinin Homolog Lectin Family. Authors: Koharudin, L.M. / Kollipara, S. / Aiken, C. / Gronenborn, A.M. #1: Journal: Structure / Year: 2011 Title: Structural basis of the anti-HIV activity of the cyanobacterial Oscillatoria Agardhii agglutinin. Authors: Koharudin, L.M. / Gronenborn, A.M. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 4fbo.cif.gz | 69 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb4fbo.ent.gz | 51.8 KB | Display | PDB format |
PDBx/mmJSON format | 4fbo.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fb/4fbo ftp://data.pdbj.org/pub/pdb/validation_reports/fb/4fbo | HTTPS FTP |
---|
-Related structure data
Related structure data | 4fbrC 4fbvC 3s5vS S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
2 |
| |||||||||
Unit cell |
| |||||||||
Components on special symmetry positions |
|
-Components
#1: Protein | Mass: 14024.218 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas fluorescens (bacteria) / Strain: Pf0-1 / Gene: Pfl01_0508 / Plasmid: pET26b(+) / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta2 (DE3) / References: UniProt: Q3KJ04 #2: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.53 % |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8 Details: 1.0 M sodium citrate and 0.1 M imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 93 K |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: RIGAKU FR-E SUPERBRIGHT / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Mar 8, 2010 |
Radiation | Monochromator: MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→28.14 Å / Num. all: 26011 / Num. obs: 24397 / % possible obs: 93.8 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 2.1 |
Reflection shell | Resolution: 1.7→1.76 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.294 / Mean I/σ(I) obs: 2.4 / Num. unique all: 2334 / % possible all: 90.6 |
-Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3S5V Resolution: 1.7→28.14 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.953 / SU B: 2.452 / SU ML: 0.079 / Cross valid method: THROUGHOUT / σ(I): 2.1 / ESU R: 0.13 / ESU R Free: 0.123 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38.737 Å2
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→28.14 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 1.7→1.744 Å / Total num. of bins used: 20
|