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- PDB-5o5z: CRYSTAL STRUCTURE OF THERMOCOCCUS LITORALIS ADP-DEPENDENT GLUCOKI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5o5z | |||||||||
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Title | CRYSTAL STRUCTURE OF THERMOCOCCUS LITORALIS ADP-DEPENDENT GLUCOKINASE (GK) | |||||||||
![]() | ADP-dependent glucokinase,ADP-dependent glucokinase,ADP-dependent glucokinase | |||||||||
![]() | TRANSFERASE / ADP-DEPENDENT / GLUCOKINASE / RIBOKINASE SUPERFAMILY | |||||||||
Function / homology | ![]() ADP-specific glucose/glucosamine kinase / ADP-specific glucokinase activity / Transferases; Transferring phosphorus-containing groups; Phosphotransferases with an alcohol group as acceptor / glucokinase activity / glycolytic process / glucose metabolic process / magnesium ion binding / cytoplasm Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Herrera-Morande, A. / Castro-Fernandez, V. / Merino, F. / Ramirez-Sarmiento, C.A. / Fernandez, F.J. / Guixe, V. / Vega, M.C. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Protein topology determines substrate-binding mechanism in homologous enzymes. Authors: Herrera-Morande, A. / Castro-Fernandez, V. / Merino, F. / Ramirez-Sarmiento, C.A. / Fernandez, F.J. / Vega, M.C. / Guixe, V. #1: ![]() Title: Crystal structure, SAXS and kinetic mechanism of hyperthermophilic ADP-dependent glucokinase from Thermococcus litoralis reveal a conserved mechanism for catalysis. Authors: Rivas-Pardo, J.A. / Herrera-Morande, A. / Castro-Fernandez, V. / Fernandez, F.J. / Vega, M.C. / Guixe, V. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 373.2 KB | Display | ![]() |
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PDB format | ![]() | 307.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 3.5 MB | Display | ![]() |
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Full document | ![]() | 3.6 MB | Display | |
Data in XML | ![]() | 32.4 KB | Display | |
Data in CIF | ![]() | 44.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5o5xC ![]() 5o5yC ![]() 4b8rS 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
-Protein / Sugars , 2 types, 3 molecules AB![](data/chem/img/GLC.gif)
![](data/chem/img/GLC.gif)
#1: Protein | Mass: 52691.941 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q7M537, ADP-specific glucose/glucosamine kinase #5: Sugar | ChemComp-GLC / | |
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-Non-polymers , 4 types, 84 molecules ![](data/chem/img/GOL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/AT4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/AT4.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-GOL / #3: Chemical | ChemComp-SO4 / | #4: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.61 Å3/Da / Density % sol: 52.87 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.2 M lithium sulfate, 20% (w/v) PEG 3350, 30 mM glucose, 5 mM Mg2+-ADPbetaS |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Nov 30, 2013 Details: Cryogenically cooled channel cut Si[111] crystal monochromator, a convex prefocussing mirror and a Kirkpatrick-Baez pair of focussing mirrors |
Radiation | Monochromator: Cryogenically cooled channel-cut Si[111] monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.8233 Å / Relative weight: 1 |
Reflection | Resolution: 2.441→58.729 Å / Num. obs: 40470 / % possible obs: 100 % / Redundancy: 6.2 % / Biso Wilson estimate: 49.71 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.0765 / Rrim(I) all: 0.0836 / Net I/σ(I): 14.56 |
Reflection shell | Resolution: 2.441→2.529 Å / Redundancy: 6.3 % / Rmerge(I) obs: 0.74 / Num. unique obs: 3972 / CC1/2: 0.89 / Rsym value: 0.807 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: wwPDB 4B8R Resolution: 2.441→58.729 Å / SU ML: 0.28 / Cross valid method: THROUGHOUT / σ(F): 1.91 / Phase error: 25.02 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.441→58.729 Å
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Refine LS restraints |
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LS refinement shell |
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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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