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Open data
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Basic information
Entry | Database: PDB / ID: 4pyi | ||||||
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Title | human apo COMT | ||||||
![]() | Catechol O-methyltransferase | ||||||
![]() | TRANSFERASE / METHYLTRANSFERASE / NEUROTRANSMITTER DEGRADATION / CONFORMATIONAL CHANGE / CATECHOLAMINE METABOLISM / CELL MEMBRANE / MEMBRANE / METAL-BINDING / SIGNAL-ANCHOR | ||||||
Function / homology | ![]() Enzymatic degradation of dopamine by COMT / Enzymatic degradation of Dopamine by monoamine oxidase / norepinephrine secretion / response to dopamine / mastication / catecholamine catabolic process / catechol O-methyltransferase activity / renal sodium excretion / catechol O-methyltransferase / renal filtration ...Enzymatic degradation of dopamine by COMT / Enzymatic degradation of Dopamine by monoamine oxidase / norepinephrine secretion / response to dopamine / mastication / catecholamine catabolic process / catechol O-methyltransferase activity / renal sodium excretion / catechol O-methyltransferase / renal filtration / developmental process / renin secretion into blood stream / dopamine secretion / Methylation / renal albumin absorption / habituation / artery development / response to salt / cerebellar cortex morphogenesis / cellular response to phosphate starvation / norepinephrine metabolic process / dopamine catabolic process / glomerulus development / synaptic transmission, dopaminergic / O-methyltransferase activity / response to angiotensin / cellular response to cocaine / exploration behavior / response to food / cholesterol efflux / response to corticosterone / prostaglandin metabolic process / glycogen metabolic process / dopamine metabolic process / startle response / detection of temperature stimulus involved in sensory perception of pain / : / behavioral fear response / response to amphetamine / response to cytokine / methyltransferase activity / visual learning / multicellular organism growth / response to toxic substance / memory / response to wounding / gene expression / methylation / response to oxidative stress / Potential therapeutics for SARS / response to hypoxia / response to xenobiotic stimulus / axon / intracellular membrane-bounded organelle / synapse / dendrite / magnesium ion binding / extracellular exosome / membrane / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ehler, A. / Benz, J. / Schlatter, D. / Rudolph, M.G. | ||||||
![]() | ![]() Title: Mapping the conformational space accessible to catechol-O-methyltransferase. Authors: Ehler, A. / Benz, J. / Schlatter, D. / Rudolph, M.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 138 KB | Display | ![]() |
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PDB format | ![]() | 110 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4p7fC ![]() 4p7gC ![]() 4p7jC ![]() 4p7kC ![]() 4pyjC ![]() 4pykC ![]() 4pylC ![]() 4pymC ![]() 4pynC ![]() 4pyoC ![]() 4pyqC 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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Unit cell |
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Components
#1: Protein | Mass: 24478.076 Da / Num. of mol.: 1 / Fragment: soluble form, unp resideus 51-271 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-NA / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.98 Å3/Da / Density % sol: 37.97 % |
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Crystal grow | Temperature: 293 K / pH: 7 Details: pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Dec 14, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.35→28.8 Å / Num. obs: 38358 / % possible obs: 92.8 % / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.3→1.35 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.01 / Mean I/σ(I) obs: 1.202 / % possible all: 56.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: INHOUSE MODEL Resolution: 1.35→28.77 Å / SU ML: 0.19 / σ(F): 1.97 / Phase error: 24.65 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.35→28.77 Å
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Refine LS restraints |
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LS refinement shell |
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