[English] 日本語
![](img/lk-miru.gif)
- PDB-1pwt: THERMODYNAMIC ANALYSIS OF ALPHA-SPECTRIN SH3 AND TWO OF ITS CIRCU... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 1pwt | ||||||
---|---|---|---|---|---|---|---|
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 | ||||||
![]() | ALPHA SPECTRIN | ||||||
![]() | CIRCULAR PERMUTANT / 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 | ![]() ![]() | ||||||
![]() | Martinez, J.C. / Viguera, A.R. / Berisio, R. / Wilmanns, M. / Mateo, P.L. / Filmonov, V.V. / Serrano, L. | ||||||
![]() | ![]() 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 |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 27.3 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 16 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 358.9 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 359.4 KB | Display | |
Data in XML | ![]() | 2.8 KB | Display | |
Data in CIF | ![]() | 4.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1shgS S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 7042.095 Da / Num. of mol.: 1 / Fragment: SH3 DOMAIN / Mutation: MGTG INSTEAD OF MDETG AT THE N-TERMINUS / Source method: isolated from a natural source / Source: (natural) ![]() ![]() |
---|---|
#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50 % | ||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | pH: 4 / Details: pH 4 | ||||||||||||||||||||||||||||||||||||||||
Crystal | *PLUS | ||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 287 K |
---|---|
Diffraction source | Type: OTHER / Wavelength: 1.5418 |
Detector | Type: MAR scanner 180 mm plate / Detector: IMAGE PLATE |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.77→15 Å / Num. obs: 7163 / % possible obs: 99.8 % / Redundancy: 6.1 % / Biso Wilson estimate: 18.9 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 25.1 |
Reflection shell | Resolution: 1.77→1.8 Å / Rmerge(I) obs: 0.2 / Mean I/σ(I) obs: 5.9 / % possible all: 96.8 |
Reflection | *PLUS Num. measured all: 43628 |
Reflection shell | *PLUS % possible obs: 96.8 % |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 1SHG Resolution: 1.77→14.5 Å / Cross valid method: THROUGHOUT / σ(F): 0 Details: THE N-TERMINUS HAD PROBABLY AN ALTERNATIVE CONFORMATION, BUT THE DENSITY WAS NOT CLEAR ENOUGH FOR MODELLING.
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.9 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.77→14.5 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|