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- PDB-6gug: Siderophore hydrolase EstB mutant S148A from Aspergillus fumigatus -
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Open data
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Basic information
Entry | Database: PDB / ID: 6gug | |||||||||
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Title | Siderophore hydrolase EstB mutant S148A from Aspergillus fumigatus | |||||||||
![]() | Siderophore esterase IroE-like, putative | |||||||||
![]() | HYDROLASE / alpha/beta-hydrolase / siderophore / hydrolysis / fungi | |||||||||
Function / homology | siderophore-dependent iron import into cell / Esterase-like / Putative esterase / hydrolase activity, acting on ester bonds / Alpha/Beta hydrolase fold / Hydrolases; Acting on ester bonds / cytoplasm / Siderophore triacetylfusarinine C esterase![]() | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Ecker, F. / Haas, H. / Groll, M. / Huber, E.M. | |||||||||
Funding support | ![]() ![]()
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![]() | ![]() Title: Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases. Authors: Ecker, F. / Haas, H. / Groll, M. / Huber, E.M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 249.4 KB | Display | ![]() |
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PDB format | ![]() | 203.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 445.6 KB | Display | ![]() |
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Full document | ![]() | 446.9 KB | Display | |
Data in XML | ![]() | 27.2 KB | Display | |
Data in CIF | ![]() | 41.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6gudSC ![]() 6guiC ![]() 6gulC ![]() 6gunC ![]() 6guoC ![]() 6gupC ![]() 6gurC 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: 32658.873 Da / Num. of mol.: 2 / Mutation: S148A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-GOL / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.53 Å3/Da / Density % sol: 51.46 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M MES pH 6.0 1 M ammonium sulfate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 16, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.45→45 Å / Num. obs: 113283 / % possible obs: 95.8 % / Redundancy: 3.7 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 12.3 |
Reflection shell | Resolution: 1.45→1.55 Å / Rmerge(I) obs: 0.59 / Mean I/σ(I) obs: 2.2 / % possible all: 96.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6GUD Resolution: 1.45→15 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.969 / SU B: 2.638 / SU ML: 0.044 / Cross valid method: THROUGHOUT / ESU R: 0.071 / ESU R Free: 0.06 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.899 Å2
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Refinement step | Cycle: 1 / Resolution: 1.45→15 Å
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Refine LS restraints |
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