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Open data
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Basic information
Entry | Database: PDB / ID: 5zy5 | ||||||
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Title | spCOMT apo structure | ||||||
![]() | Probable catechol O-methyltransferase 1 | ||||||
![]() | TRANSFERASE / catechol-O-methyltransferase | ||||||
Function / homology | ![]() Enzymatic degradation of dopamine by COMT / catechol O-methyltransferase / catecholamine metabolic process / O-methyltransferase activity / methylation / nucleus / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wang, Q. / Xu, L. | ||||||
Funding support | ![]()
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![]() | ![]() Title: structural and functional investigations of spCOMT Authors: Wang, Q. / Li, X. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 109.7 KB | Display | ![]() |
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PDB format | ![]() | 82.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 433.9 KB | Display | ![]() |
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Full document | ![]() | 435.5 KB | Display | |
Data in XML | ![]() | 19.1 KB | Display | |
Data in CIF | ![]() | 26.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4pyjS 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 31413.025 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: 972 / ATCC 24843 / Gene: SPBC119.03 / Production host: ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.44 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / Details: 21% PEG 4000, 0.1M MES pH5.6, 0.15M (NH4)2SO4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Nov 20, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97915 Å / Relative weight: 1 |
Reflection | Resolution: 2.29→50 Å / Num. obs: 27483 / % possible obs: 94.8 % / Redundancy: 6.7 % / Rmerge(I) obs: 0.084 / Rsym value: 0.084 / Net I/σ(I): 18.68 |
Reflection shell | Resolution: 2.29→2.38 Å / Redundancy: 6.7 % / Rmerge(I) obs: 0.371 / Num. unique obs: 2744 / Rsym value: 0.371 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4pyj Resolution: 2.295→35.055 Å / SU ML: 0.26 / Cross valid method: NONE / σ(F): 1.37 / Phase error: 23.08
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.295→35.055 Å
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Refine LS restraints |
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LS refinement shell |
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