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- PDB-1eo5: Bacillus circulans strain 251 cyclodextrin glycosyltransferase in... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1eo5 | |||||||||
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Title | Bacillus circulans strain 251 cyclodextrin glycosyltransferase in complex with maltoheptaose | |||||||||
![]() | PROTEIN (CYCLODEXTRIN GLYCOSYLTRANSFERASE) | |||||||||
![]() | TRANSFERASE / ALPHA-AMYLASE / MALTOHEPTAOSE / OLIGOSACCHARIDE / FAMILY 13 GLYCOSYL HYDROLASE / TRANSGLYCOSYLATION / INDUCED FIT / CATALYSIS | |||||||||
Function / homology | ![]() cyclomaltodextrin glucanotransferase / cyclomaltodextrin glucanotransferase activity / starch binding / alpha-amylase activity / carbohydrate metabolic process / extracellular region / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Uitdehaag, J.C.M. / Dijkstra, B.W. | |||||||||
![]() | ![]() Title: Structures of maltohexaose and maltoheptaose bound at the donor sites of cyclodextrin glycosyltransferase give insight into the mechanisms of transglycosylation activity and cyclodextrin size specificity. Authors: Uitdehaag, J.C. / van Alebeek, G.J. / van Der Veen, B.A. / Dijkhuizen, L. / Dijkstra, B.W. #1: ![]() Title: The Cyclization Mechanism of Cyclodextrin Glycosyltransferase (CGTase) as Revealed by a Gamma-Cyclodextrin-Cgtase Complex at 1.8 Angstrom Resolution Authors: Uitdehaag, J.C.M. / Kalk, K.H. / Van Der Veen, B.A. / Dijkhuizen, L. / Dijkstra, B.W. #2: ![]() Title: X-Ray Structures Along the Reaction Pathway of Cyclodextrin Glycosyltransferase Elucidate Catalysis in the Alpha-Amylase Family Authors: Uitdehaag, J.C.M. / Mosi, R. / Kalk, K.H. / Van Der Veen, B.A. / Dijkhuizen, L. / Withers, S.G. / Dijkstra, B.W. #3: ![]() Title: Crystallographic Studies of the Interaction of Cyclodextrin Glycosyltransferase from Bacillus Circulans Strain 251 with Natural Substrates and Products Authors: Knegtel, R.M.A. / Strokopytov, B. / Penninga, D. / Faber, O.G. / Rozeboom, H.J. / Kalk, K.H. / Dijkhuizen, L. / Dijkstra, B.W. #4: ![]() Title: Structure of Cyclodextrin Glycosyltransferase Complexed with a Maltononaose Inhibitor at 2.6 Angstrom Resolution. Implications for Product Specificity Authors: Strokopytov, B. / Knegtel, R.M.A. / Penninga, D. / Rozeboom, H.J. / Kalk, K.H. / Dijkhuizen, L. / Dijkstra, B.W. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 168.2 KB | Display | ![]() |
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PDB format | ![]() | 129.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.7 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 32.9 KB | Display | |
Data in CIF | ![]() | 50.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1eo7C ![]() 1cxiS 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, 1 molecules A
#1: Protein | Mass: 74457.375 Da / Num. of mol.: 1 / Mutation: E257A,D229A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P43379, cyclomaltodextrin glucanotransferase |
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-Sugars , 3 types, 4 molecules
#2: Polysaccharide | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D- ...alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose Source method: isolated from a genetically manipulated source | ||
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#3: Polysaccharide | #4: Polysaccharide | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose / alpha-maltotriose | |
-Non-polymers , 3 types, 678 molecules ![](data/chem/img/CA.gif)
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![](data/chem/img/HOH.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/HOH.gif)
#5: Chemical | #6: Chemical | ChemComp-MPD / ( | #7: Water | ChemComp-HOH / | |
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-Details
Compound details | THIS IS THE STRUCTURE OF B. CIRCULANS 251 E257A/D229A CGTASE WITH MALTOHEPTA |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.9 Å3/Da / Density % sol: 57.4 % | ||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 6.1 Details: 60% MPD, 100 mM Tris, 5% maltose, pH 6.10, VAPOR DIFFUSION, HANGING DROP | ||||||||||||||||||||
Crystal grow | *PLUS pH: 8.1 / Method: vapor diffusion / Details: Lawson, C.L., (1994) J. Mol. Biol., 236, 590. | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jun 23, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9063 Å / Relative weight: 1 |
Reflection | Resolution: 2→79.9 Å / Num. all: 59419 / Num. obs: 54766 / % possible obs: 92.1 % / Observed criterion σ(F): 4 / Observed criterion σ(I): 4 / Redundancy: 3.48 % / Biso Wilson estimate: 19.1 Å2 / Rmerge(I) obs: 0.111 / Rsym value: 0.111 / Net I/σ(I): 7.72 |
Reflection shell | Resolution: 2→2.05 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.414 / Mean I/σ(I) obs: 2.9 / Rsym value: 0.414 / % possible all: 88.1 |
Reflection shell | *PLUS % possible obs: 88.1 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1CXI Resolution: 2→8 Å / Isotropic thermal model: TNT STANDARD LIBRARY / Cross valid method: RFREE / σ(F): 0 / σ(I): 0 / Stereochemistry target values: ENGH & HUBER / Details: for sugar restraints see related entries
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Solvent computation | Solvent model: BABINET SCALING / Bsol: 231.6 Å2 / ksol: 0.773 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→8 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor all: 0.169 / Rfactor obs: 0.167 / Rfactor Rfree: 0.21 / Rfactor Rwork: 0.167 | |||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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