+Open data
-Basic information
Entry | Database: PDB / ID: 1uue | ||||||
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Title | a-SPECTRIN SH3 DOMAIN (V44T, D48G MUTANT) | ||||||
Components | SPECTRIN ALPHA CHAIN | ||||||
Keywords | SH3-DOMAIN / SH3 / SPECTRIN / CYTOSKELETON / MEMBRANE / CALMODULIN-BINDING / ACTIN-BINDING / CALCIUM-BINDING | ||||||
Function / homology | Function and homology information actin filament capping / costamere / cortical actin cytoskeleton / cell projection / actin filament binding / cell junction / actin cytoskeleton organization / calmodulin binding / calcium ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | GALLUS GALLUS (chicken) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å | ||||||
Authors | Vega, M.C. / Fernandez, A. / Wilmanns, M. / Serrano, L. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2004 Title: Solvation in Protein Folding Analysis: Combination of Theoretical and Experimental Approaches Authors: Fernandez, A. / Vega, M.C. / Wilmanns, M. / Serrano, L. #1: Journal: Nature / Year: 1992 Title: Crystal Structure of a Src-Homology 3 (SH3) Domain Authors: Mussacchio, A. / Noble, M. / Pauptit, R. / Wierenga, R. / Saraste, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1uue.cif.gz | 24.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1uue.ent.gz | 15 KB | Display | PDB format |
PDBx/mmJSON format | 1uue.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1uue_validation.pdf.gz | 410.4 KB | Display | wwPDB validaton report |
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Full document | 1uue_full_validation.pdf.gz | 412.5 KB | Display | |
Data in XML | 1uue_validation.xml.gz | 4.6 KB | Display | |
Data in CIF | 1uue_validation.cif.gz | 5.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uu/1uue ftp://data.pdbj.org/pub/pdb/validation_reports/uu/1uue | HTTPS FTP |
-Related structure data
Related structure data | 1bk2S S: Starting model for refinement |
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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
#1: Protein | Mass: 7173.181 Da / Num. of mol.: 1 / Fragment: SH3 DOMAIN, RESIDUES 965-1025 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) GALLUS GALLUS (chicken) / Tissue: MUSCLE / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / References: UniProt: P07751 |
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#2: Water | ChemComp-HOH / |
Compound details | CHAIN A ENGINEERED |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.59 Å3/Da / Density % sol: 51.59 % | ||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, sitting drop / pH: 7 / Details: pH 7.00 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.5 / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.802 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jun 10, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.802 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→20 Å / Num. obs: 2184 / % possible obs: 95 % / Redundancy: 4.5 % / Biso Wilson estimate: 43.8 Å2 / Rmerge(I) obs: 0.041 / Net I/σ(I): 11.7 |
Reflection shell | Resolution: 2.6→2.78 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.083 / Mean I/σ(I) obs: 26.3 / % possible all: 98.1 |
Reflection | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 31.94 Å / Num. obs: 2232 / % possible obs: 94.5 % / Redundancy: 4.5 % / Num. measured all: 10871 / Rmerge(I) obs: 0.041 |
Reflection shell | *PLUS % possible obs: 85.4 % / Redundancy: 4.1 % / Rmerge(I) obs: 0.083 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1BK2 Resolution: 2.6→20 Å / Rfactor Rfree error: 0.026 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 28.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.6→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.76 Å / Rfactor Rfree error: 0.082 / Total num. of bins used: 6
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Refinement | *PLUS Lowest resolution: 20 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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