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- PDB-2z6i: Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Red... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2z6i | ||||||
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Title | Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) | ||||||
![]() | Trans-2-enoyl-ACP reductase II | ||||||
![]() | OXIDOREDUCTASE / FATTY ACID SYNTHESIS / ANTIBIOTICS / FLAVOPROTEIN | ||||||
Function / homology | ![]() nitronate monooxygenase / Oxidoreductases; Acting on the CH-CH group of donors / nitronate monooxygenase activity / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / nucleotide binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Saito, J. / Yamada, M. / Watanabe, T. / Takeuchi, Y. | ||||||
![]() | ![]() Title: Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor. Authors: Saito, J. / Yamada, M. / Watanabe, T. / Iida, M. / Kitagawa, H. / Takahata, S. / Ozawa, T. / Takeuchi, Y. / Ohsawa, F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 135.7 KB | Display | ![]() |
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PDB format | ![]() | 111.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 28 KB | Display | |
Data in CIF | ![]() | 40.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 35758.375 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q9FBC5, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Chemical | ChemComp-CA / #3: Chemical | #4: Chemical | ChemComp-MPD / ( | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.51 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 8-15% PEG 1000, 8-15% MPD, 0.1M MES pH 5.5-7.0, 0.1M ammonium chloride, 0.2M calcium chloride, 5mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | ||||||||||||
Detector | Type: RIGAKU JUPITER 210 / Detector: CCD / Date: Jul 3, 2004 Details: A fixed exit Si double crystal monochromator followed byStandard double crystal monochromator and Rh-coated downward-deflection mirror with a typical glancing angle of 3.7mrad | ||||||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.7→29.14 Å / Num. obs: 68157 / % possible obs: 99.8 % / Redundancy: 4.3 % / Biso Wilson estimate: 17.183 Å2 / Rmerge(I) obs: 0.083 / Net I/σ(I): 8.8 | ||||||||||||
Reflection shell | Resolution: 1.7→1.76 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.226 / Mean I/σ(I) obs: 4.3 / % possible all: 99.1 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.61 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→29.14 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.7→1.744 Å / Total num. of bins used: 20
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