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Yorodumi- PDB-1nnu: Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-ca... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1nnu | ||||||
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Title | Crystal Structure Analysis of Plasmodium falciparum enoyl-acyl-carrier-protein reductase with Triclosan Analog | ||||||
Components | (enoyl-acyl carrier reductase) x 2 | ||||||
Keywords | OXIDOREDUCTASE / rossmann fold / nadh / short chain dehydrogenase reductase | ||||||
Function / homology | Function and homology information enoyl-[acyl-carrier-protein] reductase (NADH) activity / fatty acid biosynthetic process / nucleotide binding Similarity search - Function | ||||||
Biological species | Plasmodium falciparum (malaria parasite P. falciparum) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Perozzo, R. / Kuo, M. / Sidhu, A.S. / Valiyaveettil, J.T. / Bittman, R. / Jacobs Jr., W.R. / Fidock, D.A. / Sacchettini, J.C. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2002 Title: Structural Elucidation of the Specificity of the Antibacterial Agent Triclosan for Malarial Enoyl Acyl Carrier Protein Reductase Authors: Perozzo, R. / Kuo, M. / Sidhu, A.S. / Valiyaveettil, J.T. / Bittman, R. / Jacobs Jr., W.R. / Fidock, D.A. / Sacchettini, J.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1nnu.cif.gz | 125.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1nnu.ent.gz | 99.9 KB | Display | PDB format |
PDBx/mmJSON format | 1nnu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1nnu_validation.pdf.gz | 638.2 KB | Display | wwPDB validaton report |
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Full document | 1nnu_full_validation.pdf.gz | 656.6 KB | Display | |
Data in XML | 1nnu_validation.xml.gz | 15.5 KB | Display | |
Data in CIF | 1nnu_validation.cif.gz | 21.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nn/1nnu ftp://data.pdbj.org/pub/pdb/validation_reports/nn/1nnu | HTTPS FTP |
-Related structure data
-Links
-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: 25744.570 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Plasmodium falciparum (malaria parasite P. falciparum) Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) Codon+-RIL References: UniProt: Q9BH77, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Protein | Mass: 6829.676 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Plasmodium falciparum (malaria parasite P. falciparum) Plasmid: pET28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) Codon+-RIL References: UniProt: Q9BH77, enoyl-[acyl-carrier-protein] reductase (NADH) #3: Chemical | #4: Chemical | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.84 Å3/Da / Density % sol: 56.75 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 100 mM sodium acetate, 2.35 M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.5 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ROTATING ANODE / Type: MACSCIENCE / Wavelength: 1.54 Å |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE / Date: Mar 6, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→30 Å / Num. all: 26564 / Num. obs: 25188 / % possible obs: 94.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection | *PLUS Num. obs: 26564 / Redundancy: 3.7 % / Rmerge(I) obs: 0.098 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→30 Å / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 2.5→30 Å
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Refinement | *PLUS Lowest resolution: 30 Å / % reflection Rfree: 10 % | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS |