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- PDB-2v5z: Structure of human MAO B in complex with the selective inhibitor ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2v5z | |||||||||
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Title | Structure of human MAO B in complex with the selective inhibitor safinamide | |||||||||
![]() | Amine oxidase [flavin-containing] B | |||||||||
![]() | OXIDOREDUCTASE / FAD / MEMBRANE / SAFINAMIDE / FLAVOPROTEIN / HUMAN MAO B STRUCTURE / REVERSIBLE INHIBITOR BINDING / MITOCHONDRION / TRANSMEMBRANE / NEUROPROTECTION / PARKINSON'S DISEASE | |||||||||
Function / homology | ![]() Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB / monoamine oxidase activity / monoamine oxidase / phenylethylamine catabolic process / positive regulation of dopamine metabolic process / response to aluminum ion / negative regulation of serotonin secretion / response to selenium ion / primary-amine oxidase / aliphatic amine oxidase activity ...Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB / monoamine oxidase activity / monoamine oxidase / phenylethylamine catabolic process / positive regulation of dopamine metabolic process / response to aluminum ion / negative regulation of serotonin secretion / response to selenium ion / primary-amine oxidase / aliphatic amine oxidase activity / dopamine catabolic process / primary methylamine oxidase activity / mitochondrial envelope / hydrogen peroxide biosynthetic process / response to corticosterone / substantia nigra development / response to toxic substance / flavin adenine dinucleotide binding / response to ethanol / mitochondrial outer membrane / response to lipopolysaccharide / electron transfer activity / response to xenobiotic stimulus / neuronal cell body / dendrite / mitochondrion / identical protein binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Binda, C. / Wang, J. / Pisani, L. / Caccia, C. / Carotti, A. / Salvati, P. / Edmondson, D.E. / Mattevi, A. | |||||||||
![]() | ![]() Title: Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs. Authors: Binda, C. / Wang, J. / Pisani, L. / Caccia, C. / Carotti, A. / Salvati, P. / 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 | ![]() | 224.6 KB | Display | ![]() |
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PDB format | ![]() | 179.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2v60C ![]() 2v61C ![]() 1oj9S S: Starting model for refinement 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Ens-ID: 1 / Refine code: 1
NCS oper: (Code: given Matrix: (-0.52735, -0.49561, -0.69012), Vector: |
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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: 2.61 Å3/Da / Density % sol: 52.51 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Jul 12, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→30 Å / Num. obs: 164454 / % possible obs: 97.9 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.08 |
Reflection shell | Resolution: 1.6→1.64 Å / % possible obs: 98.5 % / Redundancy: 2.9 % / Mean I/σ(I) obs: 1.5 / Num. unique obs: 11773 / Rsym value: 0.466 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1OJ9 Resolution: 1.6→15 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.931 / SU B: 1.598 / SU ML: 0.057 / Cross valid method: THROUGHOUT / ESU R: 0.09 / ESU R Free: 0.087 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 15.765 Å2
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Refinement step | Cycle: 1 / Resolution: 1.6→15 Å
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Refine LS restraints |
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