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- PDB-1s3e: Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1s3e | ||||||
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Title | Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan | ||||||
![]() | Amine oxidase [flavin-containing] B | ||||||
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Function / homology | ![]() Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Binda, C. / Hubalek, F. / Li, M. / Herzig, Y. / Sterling, J. / Edmondson, D.E. / Mattevi, A. | ||||||
![]() | ![]() Title: Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class. Authors: Binda, C. / Li, M. / Herzig, Y. / Sterling, J. / Edmondson, D.E. / Mattevi, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 221.7 KB | Display | ![]() |
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PDB format | ![]() | 184.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Ens-ID: 1 / Refine code: 1
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Details | The biological assembly is a homodimer that is all contained in the asymmetric unit |
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Components
#1: Protein | Mass: 58837.730 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #2: Chemical | ![]() #3: Chemical | #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.72 Å3/Da / Density % sol: 54.77 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: PEG4000, lithium sulphate, ADA buffer, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: May 3, 2003 |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.6→30 Å / Num. all: 149238 / Num. obs: 149238 / % possible obs: 90 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection shell | Resolution: 1.6→5.06 Å / % possible all: 90 |
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Processing
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Refinement | Method to determine structure![]() ![]() Details: During refinement a double conformation of C172 (both in chain A and in chain B) has been applied. In particular the SG atom of this cysteine adopts a double conformation, therefore in the ...Details: During refinement a double conformation of C172 (both in chain A and in chain B) has been applied. In particular the SG atom of this cysteine adopts a double conformation, therefore in the pdb file it has been reported as SGA and SGB in each chain.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 37.321 Å2
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Refinement step | Cycle: LAST / Resolution: 1.6→15 Å
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Refine LS restraints |
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Refine LS restraints NCS | Dom-ID: 1 / Auth asym-ID: A / Ens-ID: 1 / Number: 3921 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 1.6→1.641 Å / Total num. of bins used: 20 /
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