+Open data
-Basic information
Entry | Database: PDB / ID: 2c3v | ||||||
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Title | Structure of iodinated CBM25 from Bacillus halodurans amylase | ||||||
Components | (ALPHA-AMYLASE G-6) x 2 | ||||||
Keywords | CARBOHYDRATE-BINDING MODULE / STARCH BINDING / CARBOHYDRATE BINDING / GLYCOSIDE HYDROLASE / AMYLOSE / AMYLOPECTIN / MALTO-OLIGOSACCHARIDE / CARBOHYDRATE- BINDING MODULE | ||||||
Function / homology | Function and homology information | ||||||
Biological species | BACILLUS HALODURANS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SAD / Resolution: 1.39 Å | ||||||
Authors | Boraston, A.B. / Healey, M. / Klassen, J. / Ficko-Blean, E. / Lammerts van Bueren, A. / Law, V. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2006 Title: A Structural and Functional Analysis of Alpha-Glucan Recognition by Family 25 and 26 Carbohydrate-Binding Modules Reveals a Conserved Mode of Starch Recognition Authors: Boraston, A.B. / Healey, M. / Klassen, J. / Ficko-Blean, E. / Lammerts Van Bueren, A. / Law, V. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2c3v.cif.gz | 90.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2c3v.ent.gz | 74 KB | Display | PDB format |
PDBx/mmJSON format | 2c3v.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c3/2c3v ftp://data.pdbj.org/pub/pdb/validation_reports/c3/2c3v | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 11646.648 Da / Num. of mol.: 1 / Fragment: CARBOHYDRATE-BINDING MODULE, RESIDUES 863-958 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS HALODURANS (bacteria) / Strain: C-125 / Plasmid: PET-BHCBM6 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9KFR4 | ||
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#2: Protein | Mass: 11143.063 Da / Num. of mol.: 1 / Fragment: CARBOHYDRATE-BINDING MODULE, RESIDUES 863-958 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS HALODURANS (bacteria) / Strain: C-125 / Plasmid: PET-BHCBM6 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9KFR4 | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 1.8 Å3/Da / Density % sol: 31.13 % |
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-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ROTATING ANODE / Wavelength: 1.5418 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.39→20 Å / Num. obs: 28505 / % possible obs: 88 % / Observed criterion σ(I): 2 / Redundancy: 7.8 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 17.3 |
-Processing
Software | Name: REFMAC / Version: 5.1.24 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: SAD / Resolution: 1.39→67.42 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.94 / SU B: 1.607 / SU ML: 0.062 / Cross valid method: THROUGHOUT / ESU R: 0.106 / ESU R Free: 0.09 / 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: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.97 Å2
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Refinement step | Cycle: LAST / Resolution: 1.39→67.42 Å
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Refine LS restraints |
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