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- PDB-6t7m: Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution -
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Open data
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Basic information
Entry | Database: PDB / ID: 6t7m | ||||||
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Title | Crystal structure of Salmonella typhimurium FabG at 2.65 A resolution | ||||||
![]() | 3-oxoacyl-[acyl-carrier-protein] reductase FabG | ||||||
![]() | BIOSYNTHETIC PROTEIN / Fatty acid biosynthesis / FabG / (3-oxoacyl-(Acyl-carrier-protein) reductase) / NADP / NADPH / complex / FAS-II | ||||||
Function / homology | ![]() 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / fatty acid elongation / oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor / NAD binding / NADP binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Vella, P. / Schnell, R. / Schneider, G. | ||||||
Funding support | ![]()
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![]() | ![]() Title: A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Authors: Vella, P. / Rudraraju, R.S. / Lundback, T. / Axelsson, H. / Almqvist, H. / Vallin, M. / Schneider, G. / Schnell, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 190.9 KB | Display | ![]() |
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PDB format | ![]() | 152.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 317.4 KB | Display | ![]() |
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Full document | ![]() | 330.2 KB | Display | |
Data in XML | ![]() | 35.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6t5xC ![]() 6t60C ![]() 6t62C ![]() 6t65C ![]() 6t6nC ![]() 6t6pC ![]() 6t77C ![]() 4afnS 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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Unit cell |
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Components
#1: Protein | Mass: 28130.027 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: N-terminal His6-tag (Sequence: MHHHHHHSSGVDLGTENLYFQS) Source: (gene. exp.) ![]() Strain: LT2 / SGSC1412 / ATCC 700720 / Gene: fabG, STM1195 / Plasmid: pNIC28Bsa4 Details (production host): N-terminal His6-tag (Sequence: MHHHHHHSSGVDLGTENLYFQS) Production host: ![]() ![]() References: UniProt: P0A2C9, 3-oxoacyl-[acyl-carrier-protein] reductase #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.57 Å3/Da / Density % sol: 52.09 % |
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Crystal grow | Temperature: 297 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.1 M Bis-Tris propane pH 8.50 2 M Sodium Sulfate 20% w/v PEG3350 2% Glycerol Cryoprotection PEG 400 25% included to the Mother liquor: crystals diped in a drop |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Aug 21, 2014 / Details: Sagittally bended Si111 crystal |
Radiation | Monochromator: Double crystal (Si, 111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 2.65→48.063 Å / Num. obs: 34344 / % possible obs: 99.9 % / Redundancy: 3.7 % / CC1/2: 0.996 / Rmerge(I) obs: 0.091 / Rpim(I) all: 0.062 / Rrim(I) all: 0.122 / Net I/σ(I): 10.5 |
Reflection shell | Resolution: 2.65→2.78 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.677 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 4516 / CC1/2: 0.642 / Rpim(I) all: 0.598 / Rrim(I) all: 0.906 / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4AFN Resolution: 2.65→48.063 Å / SU ML: 0.35 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 26.85
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 119.44 Å2 / Biso mean: 53.9141 Å2 / Biso min: 25.83 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.65→48.063 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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