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Yorodumi- PDB-3uja: Phosphoethanolamine methyltransferase from Plasmodium falciparum ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3uja | ||||||
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Title | Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with phosphoethanolamine | ||||||
Components | Phosphoethanolamine N-methyltransferase | ||||||
Keywords | TRANSFERASE / Plasmodium / parasite / methyltransferase | ||||||
Function / homology | Function and homology information : / phosphoethanolamine N-methyltransferase activity / phosphoethanolamine N-methyltransferase / phosphatidylcholine biosynthetic process / methylation / Golgi membrane / Golgi apparatus Similarity search - Function | ||||||
Biological species | Plasmodium falciparum (malaria parasite P. falciparum) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.466 Å | ||||||
Authors | Lee, S.G. / Kim, Y. / Alpert, T.D. / Nagata, A. / Jez, J.M. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2012 Title: Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target. Authors: Lee, S.G. / Kim, Y. / Alpert, T.D. / Nagata, A. / Jez, J.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3uja.cif.gz | 124.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3uja.ent.gz | 97.1 KB | Display | PDB format |
PDBx/mmJSON format | 3uja.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3uja_validation.pdf.gz | 429.7 KB | Display | wwPDB validaton report |
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Full document | 3uja_full_validation.pdf.gz | 430.9 KB | Display | |
Data in XML | 3uja_validation.xml.gz | 15.5 KB | Display | |
Data in CIF | 3uja_validation.cif.gz | 23.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uj/3uja ftp://data.pdbj.org/pub/pdb/validation_reports/uj/3uja | HTTPS FTP |
-Related structure data
Related structure data | 3uj6C 3uj7C 3uj8C 3uj9C 3ujbC 3ujcC 3ujdC C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 31084.121 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Plasmodium falciparum (malaria parasite P. falciparum) Gene: PMT / Production host: Escherichia coli (E. coli) / References: UniProt: Q6T755 |
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#2: Chemical | ChemComp-OPE / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 47.01 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 20% PEG-8000, 0.1 M sodium cacodylate, pH 6.5, 0.2 M sodium acetate, 5 mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.979 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Aug 21, 2011 |
Radiation | Monochromator: Rosenbaum-Rock high-resolution double-crystal monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.466→32.5 Å / Num. obs: 48655 / % possible obs: 99.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.4 % / Rsym value: 0.063 / Net I/σ(I): 31.3 |
Reflection shell | Resolution: 1.47→1.5 Å / Mean I/σ(I) obs: 2.2 / Rsym value: 0.406 / % possible all: 94.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.466→32.495 Å / SU ML: 0.18 / σ(F): 0 / Phase error: 19.93 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.72 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 53.397 Å2 / ksol: 0.407 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 1.466→32.495 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 19.439 Å / Origin y: 19.4233 Å / Origin z: 19.9745 Å
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Refinement TLS group | Selection details: chain A |