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- PDB-7zrq: 1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta pepti... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7zrq | |||||||||
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Title | 1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta peptide complex | |||||||||
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![]() | METAL BINDING PROTEIN / ![]() ![]() ![]() ![]() | |||||||||
Function / homology | ![]() regulation of relaxation of cardiac muscle / regulation of cellular localization / negative regulation of sodium ion transmembrane transport / regulation of cardiac muscle cell action potential involved in regulation of contraction / calcium- and calmodulin-dependent protein kinase complex / regulation of cell communication by electrical coupling / negative regulation of sodium ion transmembrane transporter activity / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Helassa, N. / Antonyuk, S. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Calmodulin variant E140G associated with long QT syndrome impairs CaMKII delta autophosphorylation and L-type calcium channel inactivation. Authors: Prakash, O. / Gupta, N. / Milburn, A. / McCormick, L. / Deugi, V. / Fisch, P. / Wyles, J. / Thomas, N.L. / Antonyuk, S. / Dart, C. / Helassa, N. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 79.8 KB | Display | ![]() |
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PDB format | ![]() | 57.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7zrpC ![]() 2welS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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: 16649.287 Da / Num. of mol.: 1 / Mutation: E140G Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() | ||||||
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#2: Protein/peptide | Mass: 2515.011 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() References: UniProt: Q13557, ![]() | ||||||
#3: Chemical | ChemComp-CA / #4: Chemical | ChemComp-GOL / | ![]() #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density % sol: 27.04 % |
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Crystal grow![]() | Temperature: 292 K / Method: vapor diffusion, hanging drop Details: 0.1 M Na+-HEPES, 0.1 M MOPS (acid), pH 7.5, 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Dec 11, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.68→39.59 Å / Num. obs: 15287 / % possible obs: 99.1 % / Redundancy: 6.3 % / CC1/2: 1 / Rmerge(I) obs: 0.048 / Rpim(I) all: 0.03 / Rrim(I) all: 0.057 / Net I/σ(I): 13.5 |
Reflection shell | Resolution: 1.68→1.71 Å / Redundancy: 4.6 % / Rmerge(I) obs: 2.042 / Mean I/σ(I) obs: 0.6 / Num. unique obs: 684 / CC1/2: 0.311 / Rpim(I) all: 1.452 / Rrim(I) all: 2.522 / % possible all: 87.8 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 2WEL Resolution: 1.68→39.59 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.962 / SU B: 9.797 / SU ML: 0.136 / Cross valid method: THROUGHOUT / ESU R: 0.136 / ESU R Free: 0.128 Details: Hydrogens have been added in their 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 BULK SOLVENT | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 29.842 Å2
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Refinement step | Cycle: LAST / Resolution: 1.68→39.59 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Selection: ALL |