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- PDB-2y57: Fragment growing induces conformational changes in acetylcholine-... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2y57 | ||||||
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Title | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4) | ||||||
![]() | SOLUBLE ACETYLCHOLINE RECEPTOR | ||||||
![]() | RECEPTOR | ||||||
Function / homology | ![]() acetylcholine receptor activity / acetylcholine-gated monoatomic cation-selective channel activity / response to nicotine / neuron projection / synapse / identical protein binding / membrane / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rucktooa, P. / Edink, E. / deEsch, I.J.P. / Sixma, T.K. | ||||||
![]() | ![]() Title: Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. Authors: Edink, E. / Rucktooa, P. / Retra, K. / Akdemir, A. / Nahar, T. / Zuiderveld, O. / Van Elk, R. / Janssen, E. / Van Nierop, P. / Van Muijlwijk-Koezen, J. / Smit, A.B. / Sixma, T.K. / Leurs, R. / De Esch, I.J.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 429.1 KB | Display | ![]() |
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PDB format | ![]() | 361 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.4 MB | Display | ![]() |
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Full document | ![]() | 1.4 MB | Display | |
Data in XML | ![]() | 37.8 KB | Display | |
Data in CIF | ![]() | 49.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2y54C ![]() 2y56C ![]() 2y58C ![]() 2c9tS 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: 24688.578 Da / Num. of mol.: 5 / Fragment: RESIDUES 20-236 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Plasmid: PFASTBAC1 / Cell line (production host): Sf21 / Production host: ![]() ![]() #2: Chemical | ChemComp-V37 / [( #3: Chemical | ChemComp-CL / #4: Chemical | ChemComp-SO4 / |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.36 Å3/Da / Density % sol: 63.41 % / Description: NONE |
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Crystal grow | pH: 8 / Details: 0.1M MMT PH8.0, 1.3M AMMONIUM SULPHATE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 24, 2010 / Details: DYNAMICALLY BENDABLE MIRROR |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 3.3→14.74 Å / Num. obs: 23584 / % possible obs: 99.4 % / Observed criterion σ(I): 1.81 / Redundancy: 5.07 % / Biso Wilson estimate: 87.59 Å2 / Rmerge(I) obs: 0.17 / Net I/σ(I): 11.6 |
Reflection shell | Resolution: 3.3→3.38 Å / Redundancy: 4.97 % / Rmerge(I) obs: 0.85 / Mean I/σ(I) obs: 1.81 / % possible all: 95.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2C9T Resolution: 3.3→49.67 Å / Cor.coef. Fo:Fc: 0.9451 / Cor.coef. Fo:Fc free: 0.9301 / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 91.32 Å2
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Refine analyze | Luzzati coordinate error obs: 0.603 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.3→49.67 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.3→3.44 Å / Total num. of bins used: 12
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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