+Open data
-Basic information
Entry | Database: PDB / ID: 4qe9 | ||||||
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Title | Open MthK pore structure soaked in 10 mM Ba2+/100 mM K+ | ||||||
Components | Calcium-gated potassium channel MthK | ||||||
Keywords | TRANSPORT PROTEIN / Transmembrane / Ion channel / Open conformation | ||||||
Function / homology | Function and homology information monoatomic cation transmembrane transporter activity / potassium ion transport / identical protein binding / metal ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | Methanothermobacter thermautotrophicus (archaea) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 Å | ||||||
Authors | Guo, R. / Zeng, W. / Cui, H. / Chen, L. / Ye, S. | ||||||
Citation | Journal: J.Gen.Physiol. / Year: 2014 Title: Ionic interactions of Ba2+ blockades in the MthK K+ channel Authors: Guo, R. / Zeng, W. / Cui, H. / Chen, L. / Ye, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4qe9.cif.gz | 47.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4qe9.ent.gz | 33 KB | Display | PDB format |
PDBx/mmJSON format | 4qe9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4qe9_validation.pdf.gz | 423.6 KB | Display | wwPDB validaton report |
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Full document | 4qe9_full_validation.pdf.gz | 423.7 KB | Display | |
Data in XML | 4qe9_validation.xml.gz | 5.8 KB | Display | |
Data in CIF | 4qe9_validation.cif.gz | 7.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qe/4qe9 ftp://data.pdbj.org/pub/pdb/validation_reports/qe/4qe9 | HTTPS FTP |
-Related structure data
Related structure data | 4qe7C 3ldcS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 9148.686 Da / Num. of mol.: 1 / Fragment: UNP residues 18-100 / Mutation: S51H, V60C Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methanothermobacter thermautotrophicus (archaea) Strain: ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H Gene: mthK, MTH_1520 / Production host: Escherichia coli (E. coli) / References: UniProt: O27564 | ||
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#2: Chemical | ChemComp-K / #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.19 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 3.0-3.5M 1,6-Hexandiol, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9786 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Jun 1, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9786 Å / Relative weight: 1 |
Reflection | Resolution: 2.15→50 Å / Num. obs: 4888 / % possible obs: 98.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 10.5 % / Rmerge(I) obs: 0.105 / Net I/σ(I): 26.6 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3LDC Resolution: 2.15→30.5 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.91 / SU B: 10.884 / SU ML: 0.139 / Cross valid method: THROUGHOUT / ESU R: 0.291 / ESU R Free: 0.228 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 51.793 Å2
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Refinement step | Cycle: LAST / Resolution: 2.15→30.5 Å
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Refine LS restraints |
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