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- PDB-1g2b: ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1g2b | ||||||
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Title | ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT N47-D48 | ||||||
![]() | SPECTRIN ALPHA CHAIN | ||||||
![]() | METAL BINDING PROTEIN / CAPPING PROTEIN / CALCIUM-BINDING / DUPLICATION / SH3 DOMAIN / CYTOSKELETON | ||||||
Function / homology | ![]() 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 | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Berisio, R. / Viguera, A.R. / Serrano, L. / Wilmanns, M. | ||||||
![]() | ![]() Title: Atomic resolution structure of a mutant of the spectrin SH3 domain. Authors: Berisio, R. / Viguera, A. / Serrano, L. / Wilmanns, M. #1: ![]() Title: Thermodynamic Analysis of alpha-spectrin SH3 and Two of Its Circular Permutants with Different Loop Lengths: Discerning the Reasons for Rapid Folding in Proteins Authors: Martinez, J.C. / Viguera, A.R. / Berisio, R. / Wilmanns, M. / Mateo, P.L. / Filimonov, V.V. / Serrano, L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 46.4 KB | Display | ![]() |
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PDB format | ![]() | 32.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 433.6 KB | Display | ![]() |
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Full document | ![]() | 433.5 KB | Display | |
Data in XML | ![]() | 7.1 KB | Display | |
Data in CIF | ![]() | 9.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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: 7129.172 Da / Num. of mol.: 1 / Fragment: SH3 DOMAIN Source method: isolated from a genetically manipulated source Details: CIRCULAR PERMUTANT, CUT AT N47-D48, INS(M-D48), INS(SG-T4) Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||
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#2: Chemical | #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.51 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / Details: VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystal grow | *PLUS Details: Viguera, A.R., (1996) Nature Struct. Biol., 3, 874. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 1.12→14 Å / Num. all: 24461 / Num. obs: 24461 / % possible obs: 93.4 % / Rmerge(I) obs: 0.071 |
Reflection shell | Resolution: 1.12→1.2 Å / Rmerge(I) obs: 0.14 / % possible all: 91.2 |
Reflection | *PLUS Num. measured all: 102998 |
Reflection shell | *PLUS % possible obs: 91.2 % |
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Processing
Software |
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Refinement | Method to determine structure: AB INITIO / Resolution: 1.12→14 Å / Num. parameters: 634 / Num. restraintsaints: 742 / Cross valid method: R-FREE / Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973)201-228 | ||||||||||||||||
Refine analyze | Occupancy sum hydrogen: 442 / Occupancy sum non hydrogen: 664 | ||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.12→14 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.12→14 Å
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | ||||||||||||||||
Refinement | *PLUS σ(F): 4 / % reflection Rfree: 5 % / Rfactor all: 0.148 / Rfactor obs: 0.136 | ||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||
Displacement parameters | *PLUS |