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Open data
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Basic information
Entry | Database: PDB / ID: 4aft | ||||||
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Title | Aplysia californica AChBP in complex with Varenicline | ||||||
![]() | SOLUBLE ACETYLCHOLINE RECEPTOR | ||||||
![]() | RECEPTOR PROTEIN / NICOTINIC | ||||||
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. / Haseler, C.A. / vanElke, R. / Smit, A.B. / Gallagher, T. / Sixma, T.K. | ||||||
![]() | ![]() Title: Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein. Authors: Rucktooa, P. / Haseler, C.A. / Van Elk, R. / Smit, A.B. / Gallagher, T. / Sixma, T.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 417.1 KB | Display | ![]() |
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PDB format | ![]() | 353.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 481.7 KB | Display | ![]() |
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Full document | ![]() | 497.8 KB | Display | |
Data in XML | ![]() | 38.2 KB | Display | |
Data in CIF | ![]() | 49 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4bqtC ![]() 2br7S ![]() 4afw 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: PFASTBAC / Cell line (production host): Sf21 / Production host: ![]() ![]() #2: Chemical | ChemComp-QMR / |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.18 Å3/Da / Density % sol: 61.4 % / Description: NONE |
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Crystal grow | pH: 7 / Details: 0.6-1.2 M AMMONIUM SULPHATE, 0.1 M MMT PH 6.5-8.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 12, 2009 / Details: MIRRORS |
Radiation | Monochromator: DOUBLE CRYSTAL SI / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9764 Å / Relative weight: 1 |
Reflection | Resolution: 3.2→48.86 Å / Num. obs: 24519 / % possible obs: 94.3 % / Observed criterion σ(I): 0 / Redundancy: 2.4 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 7.8 |
Reflection shell | Resolution: 3.2→3.37 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.9 / Mean I/σ(I) obs: 2.4 / % possible all: 97.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2BR7 Resolution: 3.2→146.58 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.945 / SU B: 47.467 / SU ML: 0.337 / Cross valid method: THROUGHOUT / ESU R Free: 0.437 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 119.044 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.2→146.58 Å
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Refine LS restraints |
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