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- PDB-6gur: Siderophore hydrolase EstB from Aspergillus fumigatus in complex ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6gur | |||||||||
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Title | Siderophore hydrolase EstB from Aspergillus fumigatus in complex with TAFC | |||||||||
![]() | Siderophore triacetylfusarinine C esterase | |||||||||
![]() | HYDROLASE / alpha/beta-hydrolase / siderophore / hydrolysis / fungi | |||||||||
Function / homology | ![]() siderophore-dependent iron import into cell / hydrolase activity, acting on ester bonds / Hydrolases; Acting on ester bonds / cytoplasm Similarity search - Function | |||||||||
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 | ![]() | 243 KB | Display | ![]() |
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PDB format | ![]() | 197.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 23.8 KB | Display | |
Data in CIF | ![]() | 33 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6gudSC ![]() 6gugC ![]() 6guiC ![]() 6gulC ![]() 6gunC ![]() 6guoC ![]() 6gupC 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
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 32674.873 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100 / Gene: estB, AFUA_3G03660 / Production host: ![]() ![]() References: UniProt: Q4WF29, Hydrolases; Acting on ester bonds |
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-Non-polymers , 5 types, 187 molecules ![](data/chem/img/FN8.gif)
![](data/chem/img/FE.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CO3.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/FE.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CO3.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-GOL / #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.45 Å3/Da / Density % sol: 49.72 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M MES pH 6.5 0.65 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: Jun 18, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→45 Å / Num. obs: 37038 / % possible obs: 96.9 % / Redundancy: 3.4 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 10.8 |
Reflection shell | Resolution: 2.1→2.2 Å / Rmerge(I) obs: 0.447 / Mean I/σ(I) obs: 2.5 / % possible all: 97.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6GUD Resolution: 2.1→15 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.937 / SU B: 13.58 / SU ML: 0.155 / Cross valid method: THROUGHOUT / ESU R Free: 0.189 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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 / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 43.906 Å2
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Refinement step | Cycle: 1 / Resolution: 2.1→15 Å
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Refine LS restraints |
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