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- PDB-4rai: Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ -
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Open data
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Basic information
Entry | Database: PDB / ID: 4rai | ||||||
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Title | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ | ||||||
![]() | Potassium channel protein | ||||||
![]() | TRANSPORT PROTEIN / Alpha helical membrane protein / chimera channel | ||||||
Function / homology | ![]() stabilization of membrane potential / potassium ion leak channel activity / outward rectifier potassium channel activity / identical protein binding / membrane / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | De March, M. / Napolitano, L.M.R. / Onesti, S. | ||||||
![]() | ![]() Title: A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Authors: Napolitano, L.M. / Bisha, I. / De March, M. / Marchesi, A. / Arcangeletti, M. / Demitri, N. / Mazzolini, M. / Rodriguez, A. / Magistrato, A. / Onesti, S. / Laio, A. / Torre, V. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 52.6 KB | Display | ![]() |
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PDB format | ![]() | 37.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 461.6 KB | Display | ![]() |
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Full document | ![]() | 465.2 KB | Display | |
Data in XML | ![]() | 10.9 KB | Display | |
Data in CIF | ![]() | 13.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4r50C ![]() 4r6zC ![]() 4r7cC ![]() 4r8cC ![]() 4ro2C ![]() 3k0dS ![]() 4r8b ![]() 4rar 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 on special symmetry positions |
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Details | Tetrameric channel with pore on 4-fold axis |
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Components
#1: Protein | Mass: 10626.555 Da / Num. of mol.: 2 / Fragment: residues 20-110 / Mutation: D66E, G67T, N68P, F69P Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-NA / #3: Chemical | ChemComp-MPD / ( #4: Chemical | ChemComp-GLY / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.34 % |
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Crystal grow | Method: vapor diffusion, hanging drop Details: CNG-ETPP(K+) crystals grown in 100mM MES pH 6.5, 60-66% (w/v) MPD, 100mM Glycine, Soaking O.N. in 70% MPD, 10mM DM, 100mM Hepes pH 7.5 and 100mM NaCl, VAPOR DIFFUSION, HANGING DROP PH range: 6.5 - 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Jul 26, 2013 |
Radiation | Monochromator: SI111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9762 Å / Relative weight: 1 |
Reflection | Resolution: 2.31→53.35 Å / Num. obs: 8580 / % possible obs: 99.3 % / Observed criterion σ(I): 1.7 |
Reflection shell | Resolution: 2.31→53.35 Å / Rmerge(I) obs: 0.096 / Mean I/σ(I) obs: 5.7 / % possible all: 99.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3K0D Resolution: 2.31→53.35 Å / σ(F): 1.7 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.31→53.35 Å
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Refine LS restraints |
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