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- PDB-2wel: Crystal structure of SU6656-bound calcium/calmodulin-dependent pr... -
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Basic information
Entry | Database: PDB / ID: 2wel | ||||||
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Title | Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin | ||||||
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![]() | TRANSFERASE / CELLULAR DIFFERENTIATION / SERINE/THREONINE-PROTEIN KINASE / PHOSPHOPROTEIN / CALMODULIN-BINDING / CALMODULIN BINDING / KINASE / ATP-BINDING / NUCLEOTIDE-BINDING / VASCULAR SMOOTH MUSCLE / SERINE-THREONINE KINASE | ||||||
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 / regulation of cell communication by electrical coupling / calcium- and calmodulin-dependent protein kinase complex / negative regulation of sodium ion transmembrane transporter activity / Ca2+/calmodulin-dependent protein kinase / : / regulation of membrane depolarization ...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 / regulation of cell communication by electrical coupling / calcium- and calmodulin-dependent protein kinase complex / negative regulation of sodium ion transmembrane transporter activity / Ca2+/calmodulin-dependent protein kinase / : / regulation of membrane depolarization / establishment of protein localization to mitochondrial membrane / regulation of the force of heart contraction / type 3 metabotropic glutamate receptor binding / Trafficking of AMPA receptors / endoplasmic reticulum calcium ion homeostasis / cardiac muscle cell contraction / Assembly and cell surface presentation of NMDA receptors / sodium channel inhibitor activity / CaM pathway / Cam-PDE 1 activation / Sodium/Calcium exchangers / relaxation of cardiac muscle / Calmodulin induced events / regulation of synaptic vesicle endocytosis / regulation of calcium ion transmembrane transport via high voltage-gated calcium channel / Reduction of cytosolic Ca++ levels / calcium/calmodulin-dependent protein kinase activity / CREB1 phosphorylation through the activation of CaMKII/CaMKK/CaMKIV cascasde / Activation of Ca-permeable Kainate Receptor / Loss of phosphorylation of MECP2 at T308 / CREB1 phosphorylation through the activation of Adenylate Cyclase / PKA activation / negative regulation of high voltage-gated calcium channel activity / CaMK IV-mediated phosphorylation of CREB / Glycogen breakdown (glycogenolysis) / positive regulation of cyclic-nucleotide phosphodiesterase activity / regulation of synaptic vesicle exocytosis / regulation of heart contraction / organelle localization by membrane tethering / negative regulation of calcium ion export across plasma membrane / CLEC7A (Dectin-1) induces NFAT activation / mitochondrion-endoplasmic reticulum membrane tethering / autophagosome membrane docking / regulation of cardiac muscle cell action potential / Activation of RAC1 downstream of NMDARs / response to corticosterone / positive regulation of DNA binding / positive regulation of ryanodine-sensitive calcium-release channel activity / positive regulation of cardiac muscle hypertrophy / positive regulation of cardiac muscle cell apoptotic process / nitric-oxide synthase binding / regulation of cell communication by electrical coupling involved in cardiac conduction / Negative regulation of NMDA receptor-mediated neuronal transmission / negative regulation of peptidyl-threonine phosphorylation / Synthesis of IP3 and IP4 in the cytosol / Unblocking of NMDA receptors, glutamate binding and activation / Phase 0 - rapid depolarisation / negative regulation of ryanodine-sensitive calcium-release channel activity / protein phosphatase activator activity / regulation of heart rate by cardiac conduction / RHO GTPases activate PAKs / : / Ion transport by P-type ATPases / Long-term potentiation / Uptake and function of anthrax toxins / Regulation of MECP2 expression and activity / Calcineurin activates NFAT / adenylate cyclase binding / catalytic complex / HSF1-dependent transactivation / DARPP-32 events / detection of calcium ion / regulation of cardiac muscle contraction / regulation of ryanodine-sensitive calcium-release channel activity / Smooth Muscle Contraction / cellular response to interferon-beta / RHO GTPases activate IQGAPs / regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion / calcium channel inhibitor activity / Protein methylation / phosphatidylinositol 3-kinase binding / eNOS activation / enzyme regulator activity / activation of adenylate cyclase activity / regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum / Activation of AMPK downstream of NMDARs / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / : / Ion homeostasis / titin binding / regulation of calcium-mediated signaling / positive regulation of protein autophosphorylation / voltage-gated potassium channel complex / sperm midpiece / sarcoplasmic reticulum membrane / calcium channel complex / response to amphetamine / substantia nigra development / cellular response to calcium ion / adenylate cyclase activator activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Pike, A.C.W. / Rellos, P. / Salah, E. / Burgess-Brown, N. / Keates, T. / Muniz, J. / Sethi, R. / Roos, A. / Filippakopoulos, P. / von Delft, F. ...Pike, A.C.W. / Rellos, P. / Salah, E. / Burgess-Brown, N. / Keates, T. / Muniz, J. / Sethi, R. / Roos, A. / Filippakopoulos, P. / von Delft, F. / Edwards, A. / Weigelt, J. / Arrowsmith, C.H. / Bountra, C. / Knapp, S. | ||||||
![]() | ![]() Title: Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation. Authors: Rellos, P. / Pike, A.C.W. / Niesen, F.H. / Salah, E. / Lee, W.H. / von Delft, F. / Knapp, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 120.5 KB | Display | ![]() |
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PDB format | ![]() | 90.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2ux0C ![]() 2v7oC ![]() 2vn9SC ![]() 2vz6C ![]() 2w2cC ![]() 1mxeS ![]() 2jl2 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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Components
-Protein , 2 types, 2 molecules AD
#1: Protein | Mass: 37006.500 Da / Num. of mol.: 1 / Fragment: KINASE DOMAIN, RESIDUES 11-335 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: Q13557, Ca2+/calmodulin-dependent protein kinase |
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#2: Protein | Mass: 16939.623 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
-Non-polymers , 5 types, 418 molecules ![](data/chem/img/K88.gif)
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#3: Chemical | ChemComp-K88 / ( | ||||||
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#4: Chemical | ChemComp-EDO / #5: Chemical | #6: Chemical | ChemComp-CA / #7: Water | ChemComp-HOH / | |
-Details
Nonpolymer details | (2-OXO-3-(4,5,6,7-TETRAHYDRO-1 H-INDOL-2-YLMETHYLENE)-2, 3-DIHYDRO-1H-INDOLE-5-SULFONIC ACID ...(2-OXO-3-(4,5,6,7-TETRAHYDRO |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.72 % / Description: NONE |
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Crystal grow | pH: 7.5 Details: 0.1M SODIUM POTASSIUM PHOSPHATE, 20% PEG3350 10% ETHYLENE GLYCOL, pH 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 24, 2008 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9787 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→33.13 Å / Num. obs: 45901 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 4.9 % / Biso Wilson estimate: 20.729 Å2 / Rmerge(I) obs: 0.11 / Net I/σ(I): 10.8 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 4.9 % / Rmerge(I) obs: 0.8 / Mean I/σ(I) obs: 2.6 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRIES 2VN9, 1MXE Resolution: 1.9→33.34 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.955 / SU B: 6.064 / SU ML: 0.084 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.115 / ESU R Free: 0.114 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES RESIDUAL ONLY.
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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: 16.066 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→33.34 Å
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