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- PDB-2j5g: The Native structure of a beta-Diketone Hydrolase from the Cyanob... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2j5g | ||||||
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Title | The Native structure of a beta-Diketone Hydrolase from the Cyanobacterium Anabaena sp. PCC 7120 | ||||||
![]() | (ALR4455 PROTEIN) x 2 | ||||||
![]() | HYDROLASE / ENZYME EVOLUTION / C-C BOND HYDROLASE / LYASE / CROTONASE / BIOCATALYSIS / BETA-DIKETONE | ||||||
Function / homology | Enoyl-CoA hydratase/isomerase / Enoyl-CoA hydratase/isomerase / 2-enoyl-CoA Hydratase; Chain A, domain 1 / 2-enoyl-CoA Hydratase; Chain A, domain 1 / ClpP/crotonase-like domain superfamily / peroxisome / Alpha-Beta Complex / Alpha Beta / Alr4455 protein![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bennett, J.P. / Whittingham, J.L. / Brzozowski, A.M. / Leonard, P.M. / Grogan, G. | ||||||
![]() | ![]() Title: Structural Characterisation of a Beta Diketone Hydrolase from the Cyanobacterium Anabaena Sp. Pcc 7120 in Native and Product Bound Forms, a Coenzyme A-Independent Member of the Crotonase Suprafamily Authors: Bennett, J.P. / Whittingham, J.L. / Brzozowski, A.M. / Leonard, P.M. / Grogan, G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 679.5 KB | Display | ![]() |
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PDB format | ![]() | 563.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 520.7 KB | Display | ![]() |
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Full document | ![]() | 553.5 KB | Display | |
Data in XML | ![]() | 150.4 KB | Display | |
Data in CIF | ![]() | 226.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2j5sC ![]() 1o8uS ![]() 2j5j C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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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: 30067.037 Da / Num. of mol.: 11 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Protein | | Mass: 30080.037 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #3: Chemical | ChemComp-SO4 / #4: Water | ChemComp-HOH / | Sequence details | SEQUENCE INCLUDES N-TERMINAL CLEAVABLE HIS TAG OF 6 HISTIDINE RESIDUES. | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.71 % |
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Crystal grow | pH: 5.5 Details: 0.1 M MES PH 5.5, 15% PEG 4000, 0.8 M SODIUM FORMATE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Feb 16, 2006 / Details: TOROIDAL MIRROR |
Radiation | Monochromator: DIAMOND (111), GE(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.93 Å / Relative weight: 1 |
Reflection | Resolution: 1.46→50 Å / Num. obs: 515541 / % possible obs: 97.7 % / Redundancy: 4.4 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 22.26 |
Reflection shell | Resolution: 1.46→1.51 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.27 / Mean I/σ(I) obs: 4.71 / % possible all: 86.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1O8U Resolution: 1.46→154.3 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.961 / SU B: 0.938 / SU ML: 0.037 / Cross valid method: THROUGHOUT / ESU R: 0.062 / ESU R Free: 0.064 / 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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.53 Å2
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Refinement step | Cycle: LAST / Resolution: 1.46→154.3 Å
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Refine LS restraints |
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