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Open data
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Basic information
Entry | Database: PDB / ID: 3sh1 | |||||||||
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Title | Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR | |||||||||
![]() | Soluble acetylcholine receptor | |||||||||
![]() | RECEPTOR / Human nicotinic acetylcholine receptor binding protein / Methyllycaconitine Binding / Glycosylation | |||||||||
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 | ![]() ![]() ![]() | |||||||||
![]() | Nemecz, A. / Taylor, P.W. | |||||||||
![]() | ![]() Title: Creating an alpha-7 nicotinic acetylcholine recognition domain from the acetylcholine binding protein: crystallographic and ligand selectivity analyses Authors: Nemecz, A. / Taylor, 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 | ![]() | 458.2 KB | Display | ![]() |
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PDB format | ![]() | 380.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 5.2 MB | Display | ![]() |
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Full document | ![]() | 5.3 MB | Display | |
Data in XML | ![]() | 95 KB | Display | |
Data in CIF | ![]() | 118.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3sioC ![]() 3t4mC ![]() 2byrS 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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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 10 molecules ABCDEFGHIJ
#1: Protein | Mass: 26323.051 Da / Num. of mol.: 10 / Fragment: unp entry 18-236 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: LOC100533247 soluble acetylcholine receptor / Plasmid: pFlag-CMV3 / Cell line (production host): HEK293S Gnt1- / Production host: ![]() |
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-Sugars , 3 types, 13 molecules ![](data/chem/img/NAG.gif)
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source #3: Polysaccharide | Source method: isolated from a genetically manipulated source #8: Sugar | ChemComp-NAG / |
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-Non-polymers , 6 types, 99 molecules ![](data/chem/img/MG.gif)
![](data/chem/img/MLK.gif)
![](data/chem/img/MRD.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MLK.gif)
![](data/chem/img/MRD.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-MG / #5: Chemical | ChemComp-MLK / #6: Chemical | ChemComp-MRD / ( #7: Chemical | ChemComp-MPD / ( #9: Chemical | ChemComp-ACT / | #10: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.02 Å3/Da / Density % sol: 59.22 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 30%MPD, 0.1M Na Cacodylate, 0.2M Magnesium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 3, 2011 |
Radiation | Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→50 Å / Num. obs: 85106 / % possible obs: 73.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 7.5 % / Rmerge(I) obs: 0.138 / Rsym value: 0.138 / Net I/σ(I): 13.909 |
Reflection shell | Resolution: 2.9→2.95 Å / Redundancy: 6.6 % / Rmerge(I) obs: 0.952 / Mean I/σ(I) obs: 1.5 / Rsym value: 0 / % possible all: 95.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: Modified via pymol PDB entry 2BYR Resolution: 2.9→48.054 Å / SU ML: 0.38 / Isotropic thermal model: Isotropic / σ(F): 0.19 / Phase error: 28.89 / Stereochemistry target values: MLHL
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 44.137 Å2 / ksol: 0.303 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.9→48.054 Å
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Refine LS restraints |
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LS refinement shell |
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