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- PDB-8a12: Plasmodium falciparum Myosin A full-length, post-rigor state comp... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8a12 | ||||||
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Title | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | ||||||
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![]() | MOTOR PROTEIN / Malaria / Plasmodium falciparum / Myosin A / Knx002 / antimalarial treatment / molecular motors | ||||||
Function / homology | ![]() pellicle / glideosome / inner membrane pellicle complex / mitotic actomyosin contractile ring assembly / vesicle transport along actin filament / myosin complex / myosin II complex / microfilament motor activity / myosin heavy chain binding / cytoskeletal motor activity ...pellicle / glideosome / inner membrane pellicle complex / mitotic actomyosin contractile ring assembly / vesicle transport along actin filament / myosin complex / myosin II complex / microfilament motor activity / myosin heavy chain binding / cytoskeletal motor activity / actin filament organization / actin filament binding / actin cytoskeleton / actin binding / vesicle / calcium ion binding / ATP binding / membrane / plasma membrane / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Moussaoui, D. / Robblee, J.P. / Auguin, D. / Fisher, F. / Fagnant, P.M. / MacFarlane, J.E. / Mueller-Dieckmann, C. / Baum, J. / Robert-Paganin, J. / Trybus, K.M. / Houdusse, A. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Authors: Moussaoui, D. / Robblee, J.P. / Robert-Paganin, J. / Auguin, D. / Fisher, F. / Fagnant, P.M. / Macfarlane, J.E. / Schaletzky, J. / Wehri, E. / Mueller-Dieckmann, C. / Baum, J. / Trybus, K.M. / Houdusse, 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 | ![]() | 469.1 KB | Display | ![]() |
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PDB format | ![]() | 375.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.2 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 44.4 KB | Display | |
Data in CIF | ![]() | 64.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8cdqC ![]() 6ycyS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 3 types, 3 molecules ABE
#1: Protein | Mass: 92474.305 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: isolate 3D7 / Gene: MyoA, PF13_0233, PF3D7_1342600 / Production host: ![]() ![]() |
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#2: Protein | Mass: 23510.738 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: isolate 3D7 / Gene: PF3D7_1246400 / Production host: ![]() ![]() |
#3: Protein | Mass: 15692.797 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: isolate NF54 / Gene: CK202_4702 / Production host: ![]() ![]() |
-Non-polymers , 5 types, 501 molecules ![](data/chem/img/ADP.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-ADP / | ||||||
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#5: Chemical | #6: Chemical | #7: Chemical | ChemComp-MG / | #8: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.35 Å3/Da / Density % sol: 63.32 % |
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Crystal grow | Temperature: 277.4 K / Method: vapor diffusion Details: 1,6 M Ammonium sulfate; 0,1 M HEPES pH 7,5; 4% PEG400 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Feb 11, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9677 Å / Relative weight: 1 |
Reflection | Resolution: 2.027→85.112 Å / Num. obs: 87835 / % possible obs: 94.4 % / Redundancy: 6.9 % / CC1/2: 0.999 / Rmerge(I) obs: 0.078 / Net I/σ(I): 13.1 |
Reflection shell | Resolution: 2.027→2.223 Å / Rmerge(I) obs: 1.136 / Num. unique obs: 4371 / CC1/2: 0.632 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6YCY Resolution: 2.03→42.56 Å / SU ML: 0.24 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 29.6 / 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 137.62 Å2 / Biso mean: 57.8874 Å2 / Biso min: 25.83 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.03→42.56 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30
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Refinement TLS params. | Method: refined / Origin x: 3.0918 Å / Origin y: 0.1768 Å / Origin z: 37.8024 Å
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Refinement TLS group |
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