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- PDB-5ycs: X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Baci... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5ycs | ||||||
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Title | X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with triclosan | ||||||
![]() | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | ||||||
![]() | OXIDOREDUCTASE / antibacterial / fabI | ||||||
Function / homology | ![]() : / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / NADP+ binding / enoyl-[acyl-carrier-protein] reductase (NADH) activity / catalytic complex / small molecule binding / identical protein binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kim, H.T. | ||||||
![]() | ![]() Title: Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis Authors: Kim, H.T. / Kim, S. / Na, B.K. / Chung, J. / Hwang, E. / Hwang, K.Y. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 225.2 KB | Display | ![]() |
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PDB format | ![]() | 180.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 45.2 KB | Display | |
Data in CIF | ![]() | 64.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5ycrC ![]() 5ycvC ![]() 5ycxC ![]() 2qioS 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 on special symmetry positions |
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Components
#1: Protein | Mass: 27916.555 Da / Num. of mol.: 4 / Mutation: no Source method: isolated from a genetically manipulated source Details: NAD+, triclosan Source: (gene. exp.) ![]() ![]() Strain: ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NRRL B-3711 Gene: fabI, BC_1216 Production host: ![]() References: UniProt: Q81GI3, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Chemical | ChemComp-NAD / #3: Chemical | ChemComp-TCL / #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.82 Å3/Da / Density % sol: 67.77 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 4.6 / Details: 0.1M Na acetate, pH 4.6, 2M AMS |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: ADSC QUANTUM 210r / Detector: CCD / Date: Oct 15, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→50 Å / Num. obs: 124185 / % possible obs: 99.8 % / Redundancy: 7.9 % / Rmerge(I) obs: 0.101 / Rpim(I) all: 0.035 / Rsym value: 0.086 / Net I/σ(I): 29 |
Reflection shell | Resolution: 1.95→1.98 Å / Redundancy: 6.1 % / Rmerge(I) obs: 0.361 / Mean I/σ(I) obs: 3.5 / Num. unique obs: 6104 / CC1/2: 0.86 / Rpim(I) all: 0.151 / Rsym value: 0.475 / Χ2: 0.639 / % possible all: 99.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2QIO Resolution: 1.95→36.595 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.43 / Phase error: 17.49
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.95→36.595 Å
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Refine LS restraints |
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LS refinement shell |
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