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- PDB-3am5: K316A mutant of Enoyl-ACP Reductase from Plasmodium falciparum (P... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3am5 | ||||||
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Title | K316A mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan | ||||||
![]() | Enoyl-ACP reductase![]() | ||||||
![]() | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / ![]() ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() enoyl-[acyl-carrier-protein] reductase (NADH) activity / fatty acid biosynthetic process / ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Maity, K. / Banerjee, T. / Narayanappa, P. / Surolia, N. / Surolia, A. / Suguna, K. | ||||||
![]() | ![]() Title: Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Authors: Maity, K. / Banerjee, T. / Prabakaran, N. / Surolia, N. / Surolia, A. / Suguna, K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 139.8 KB | Display | ![]() |
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PDB format | ![]() | 107.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3am3C ![]() 3am4C ![]() 1uh5S 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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1 | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 37186.086 Da / Num. of mol.: 2 / Fragment: residues 96-424 / Mutation: K316A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Gene: fabI / Plasmid: PET-28a(+)(NOVAGEN) / Production host: ![]() ![]() ![]() References: UniProt: Q9BJJ9, enoyl-[acyl-carrier-protein] reductase (NADH) #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: 2.39 Å3/Da / Density % sol: 48.57 % |
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Crystal grow![]() | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 5.8 Details: 3M ammonium sulphate, 0.1M MES buffer, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Mar 18, 2009 / Details: Mirror |
Radiation | Monochromator: OSMIC MIRROR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.05→51.4 Å / Num. obs: 45800 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 9.8 % / Biso Wilson estimate: 26.6 Å2 / Rmerge(I) obs: 0.083 / Net I/σ(I): 20.3 |
Reflection shell | Resolution: 2.05→2.16 Å / Redundancy: 9.7 % / Rmerge(I) obs: 0.461 / Mean I/σ(I) obs: 4.4 / Num. unique all: 6576 / % possible all: 100 |
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Processing
Software |
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Refinement | Method to determine structure![]() ![]() Starting model: 1UH5 Resolution: 2.05→47.85 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.943 / SU B: 3.554 / SU ML: 0.097 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.148 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: BULK SOLVENT MODEL USED
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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: 30.804 Å2
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Refinement step | Cycle: LAST / Resolution: 2.05→47.85 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.05→2.103 Å / Total num. of bins used: 20
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