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- PDB-5hbr: Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5hbr | ||||||
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Title | Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and coenzyme A | ||||||
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![]() | LIGASE / Dinucleotide forming acetyl-CoA synthetase / complex / ACD | ||||||
Function / homology | ![]() acetate-CoA ligase (ADP-forming) activity / nucleotide binding / ATP binding / metal ion binding Similarity search - Function | ||||||
Biological species | Korarchaeum cryptofilum | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Weisse, R.H.-J. / Scheidig, A.J. | ||||||
![]() | ![]() Title: Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer. Authors: Weie, R.H. / Faust, A. / Schmidt, M. / Schonheit, P. / Scheidig, A.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 508.2 KB | Display | ![]() |
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PDB format | ![]() | 423 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 919.3 KB | Display | ![]() |
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Full document | ![]() | 931.7 KB | Display | |
Data in XML | ![]() | 49.8 KB | Display | |
Data in CIF | ![]() | 70 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4xylC ![]() 4xymC ![]() 4xz3C ![]() 4y8vC ![]() 4yajC ![]() 4yakC ![]() 4yb8C ![]() 4ybzC 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 , 2 types, 4 molecules ACBD
#1: Protein | Mass: 49354.523 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: OPF8 / Gene: Kcr_0198 / Plasmid: pET17b / Production host: ![]() ![]() #2: Protein | Mass: 25676.797 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: OPF8 / Gene: Kcr_0115 / Plasmid: pET17b / Production host: ![]() ![]() |
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-Non-polymers , 5 types, 347 molecules ![](data/chem/img/COA.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | #4: Chemical | #5: Chemical | #6: Chemical | ChemComp-NA / | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.13 % / Description: rod-like |
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Crystal grow | Temperature: 278 K / Method: vapor diffusion, hanging drop Details: 100 mM Tris/HCl pH 8.3 16% (w/v) PEG6000 10 mM Na2HPO4 5 mM NaOAc |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 28, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.984 Å / Relative weight: 1 |
Reflection | Resolution: 1.993→126.03 Å / Num. obs: 101504 / % possible obs: 99.6 % / Redundancy: 6.6 % / Rmerge(I) obs: 0.141 / Net I/σ(I): 8.4 |
Reflection shell | Resolution: 1.993→2.03 Å / Redundancy: 5.9 % / Rmerge(I) obs: 3.243 / Mean I/σ(I) obs: 0.5 / % possible all: 93.1 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: 1.995→81.174 Å
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Refine LS restraints |
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LS refinement shell |
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