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Open data
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Basic information
Entry | Database: PDB / ID: 2wnl | |||||||||
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Title | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | |||||||||
![]() | SOLUBLE ACETYLCHOLINE RECEPTOR | |||||||||
![]() | RECEPTOR / ANABASEINE / ACETYLCHOLINE BINDING PROTEIN | |||||||||
Function / homology | ![]() acetylcholine receptor activity / acetylcholine-gated monoatomic cation-selective channel activity / response to nicotine / postsynapse / neuron projection / identical protein binding / membrane / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Sulzenbacher, G. / Hibbs, R. / Shi, J. / Talley, T. / Conrod, S. / Kem, W. / Taylor, P. / Marchot, P. / Bourne, Y. | |||||||||
![]() | ![]() Title: Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. Authors: Hibbs, R.E. / Sulzenbacher, G. / Shi, J. / Talley, T.T. / Conrod, S. / Kem, W.R. / Taylor, P. / Marchot, P. / Bourne, Y. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 428.1 KB | Display | ![]() |
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PDB format | ![]() | 353.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2wn9C ![]() 2wncC ![]() 2wnjC ![]() 2bynS C: citing same article ( S: Starting model for refinement |
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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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Beg auth comp-ID: GLY / Beg label comp-ID: GLY / End auth comp-ID: THR / End label comp-ID: THR / Auth seq-ID: 22 - 180 / Label seq-ID: 30 - 188
NCS ensembles :
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Components
-Protein / Sugars , 2 types, 13 molecules ABCDEFGHIJ![](data/chem/img/NAG.gif)
![](data/chem/img/NAG.gif)
#1: Protein | Mass: 25852.744 Da / Num. of mol.: 10 / Fragment: RESIDUES 18-236 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Cell: SENSORY CELL / Cell line (production host): HEK293 / Production host: ![]() #6: Sugar | |
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-Non-polymers , 5 types, 320 molecules ![](data/chem/img/AN4.gif)
![](data/chem/img/AN5.gif)
![](data/chem/img/PG4.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/AN5.gif)
![](data/chem/img/PG4.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-AN4 / #3: Chemical | ChemComp-AN5 / #4: Chemical | ChemComp-PG4 / | #5: Chemical | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.71 Å3/Da / Density % sol: 54 % / Description: NONE |
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Crystal grow | Details: 19% PEG4000, 95 MM NA-CITRATE, PH 5.6, 19% ISOPROPANOL, 5% GLYCEROL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Apr 5, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.872 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→70 Å / Num. obs: 73265 / % possible obs: 99.6 % / Observed criterion σ(I): 0 / Redundancy: 3.4 % / Biso Wilson estimate: 47.82 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 9.8 |
Reflection shell | Resolution: 2.7→2.85 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.49 / Mean I/σ(I) obs: 2.4 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2BYN Resolution: 2.7→258.2 Å / Cor.coef. Fo:Fc: 0.931 / Cor.coef. Fo:Fc free: 0.889 / SU B: 27.976 / SU ML: 0.261 / Cross valid method: THROUGHOUT / ESU R: 2.215 / ESU R Free: 0.34 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. GLOBAL B-FACTORS, CONTAINING RESIDUAL AND TLS COMPONENT HAVE BEEN DEPOSITED.
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 40.515 Å2
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Refinement step | Cycle: LAST / Resolution: 2.7→258.2 Å
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Refine LS restraints |
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