+Open data
-Basic information
Entry | Database: PDB / ID: 8dge | |||||||||
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Title | BoGH13ASus from Bacteroides ovatus | |||||||||
Components | Alpha amylase, catalytic domain proteinAlpha-amylase | |||||||||
Keywords | HYDROLASE / alpha-amylase / starch / GH13 / glycoside hydrolase | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Bacteroides ovatus ATCC 8483 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.89 Å | |||||||||
Authors | Brown, H.A. / DeVeaux, A.L. / Koropatkin, N.M. | |||||||||
Funding support | United States, 2items
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Citation | Journal: Cell.Mol.Life Sci. / Year: 2023 Title: BoGH13A Sus from Bacteroides ovatus represents a novel alpha-amylase used for Bacteroides starch breakdown in the human gut. Authors: Brown, H.A. / DeVeaux, A.L. / Juliano, B.R. / Photenhauer, A.L. / Boulinguiez, M. / Bornschein, R.E. / Wawrzak, Z. / Ruotolo, B.T. / Terrapon, N. / Koropatkin, N.M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8dge.cif.gz | 1.2 MB | Display | PDBx/mmCIF format |
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PDB format | pdb8dge.ent.gz | 1001.5 KB | Display | PDB format |
PDBx/mmJSON format | 8dge.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dg/8dge ftp://data.pdbj.org/pub/pdb/validation_reports/dg/8dge | HTTPS FTP |
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-Related structure data
Related structure data | 8dl1C 8dl2C 3m07S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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4 |
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Unit cell |
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-Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 84055.633 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacteroides ovatus ATCC 8483 (bacteria) Strain: ATCC 8483 / DSM 1896 / JCM 5824 / BCRC 10623 / CCUG 4943 / NCTC 11153 Gene: BACOVA_03514,Bovatus_03803 / Production host: Escherichia coli (E. coli) / References: UniProt: A7M087 |
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-Non-polymers , 8 types, 1678 molecules
#2: Chemical | ChemComp-CA / #3: Chemical | ChemComp-MN / #4: Chemical | ChemComp-EDO / #5: Chemical | ChemComp-PEG / #6: Chemical | ChemComp-PGE / | #7: Chemical | #8: Chemical | #9: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | N |
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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: 2.5 Å3/Da / Density % sol: 50.77 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 11% MPD, 11% PEG1000, 11% PEG3350, 0.1 M MES/Imidazole pH 6.5, 0.12M ethylene glycol mix |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97987 Å |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Mar 13, 2019 |
Radiation | Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97987 Å / Relative weight: 1 |
Reflection | Resolution: 1.89→62 Å / Num. obs: 262849 / % possible obs: 99.7 % / Redundancy: 5 % / CC1/2: 0.997 / Rmerge(I) obs: 0.095 / Net I/σ(I): 8.8 |
Reflection shell | Resolution: 1.89→1.96 Å / Rmerge(I) obs: 0.954 / Num. unique obs: 25868 / CC1/2: 0.688 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3M07 Resolution: 1.89→62 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.91 / SU B: 11.421 / SU ML: 0.148 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.395 / ESU R Free: 0.164 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
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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 max: 62.74 Å2 / Biso mean: 29.055 Å2 / Biso min: 19 Å2
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Refinement step | Cycle: final / Resolution: 1.89→62 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.89→1.938 Å / Rfactor Rfree error: 0
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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