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Yorodumi- PDB-6gui: Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus -
+Open data
-Basic information
Entry | Database: PDB / ID: 6gui | |||||||||
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Title | Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus | |||||||||
Components | Siderophore esterase IroE-like, putative | |||||||||
Keywords | 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 Function and homology information | |||||||||
Biological species | Aspergillus fumigatus Af293 (mold) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | |||||||||
Authors | Ecker, F. / Haas, H. / Groll, M. / Huber, E.M. | |||||||||
Funding support | Germany, Austria, 2items
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Citation | Journal: Angew. Chem. Int. Ed. Engl. / Year: 2018 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6gui.cif.gz | 251.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6gui.ent.gz | 204.6 KB | Display | PDB format |
PDBx/mmJSON format | 6gui.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gu/6gui ftp://data.pdbj.org/pub/pdb/validation_reports/gu/6gui | HTTPS FTP |
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-Related structure data
Related structure data | 6gudSC 6gugC 6gulC 6gunC 6guoC 6gupC 6gurC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 32650.830 Da / Num. of mol.: 2 / Mutation: H267N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aspergillus fumigatus Af293 (mold) / Gene: AFUA_3G03660 / Production host: Escherichia coli (E. coli) / References: UniProt: Q4WF29 #2: Chemical | ChemComp-GOL / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.79 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M citrate pH 4.5 0.9 M ammonium tartrate |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å |
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: 1.7→45 Å / Num. obs: 73016 / % possible obs: 98.3 % / Redundancy: 4.5 % / Rmerge(I) obs: 0.052 / Net I/σ(I): 14.7 |
Reflection shell | Resolution: 1.7→1.8 Å / Rmerge(I) obs: 0.576 / Mean I/σ(I) obs: 3.1 / % possible all: 99.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6GUD Resolution: 1.7→15 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.966 / SU B: 4.818 / SU ML: 0.068 / Cross valid method: THROUGHOUT / ESU R: 0.127 / ESU R Free: 0.088 / 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: 29.249 Å2
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Refinement step | Cycle: 1 / Resolution: 1.7→15 Å
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Refine LS restraints |
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