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- PDB-1gjv: Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1gjv | ||||||
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Title | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ATP-gamma-S | ||||||
![]() | [3-METHYL-2-OXOBUTANOATE DEHYDROGENASE [LIPOAMIDE]] KINASE | ||||||
![]() | TRANSFERASE / MITOCHONDRIAL PROTEIN KINASE / POTASSIUM | ||||||
Function / homology | ![]() [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] kinase / [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] kinase activity / Branched-chain amino acid catabolism / : / valine catabolic process / isoleucine catabolic process / pyruvate dehydrogenase (acetyl-transferring) kinase activity / L-leucine catabolic process / branched-chain amino acid catabolic process / lipid biosynthetic process ...[3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] kinase / [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] kinase activity / Branched-chain amino acid catabolism / : / valine catabolic process / isoleucine catabolic process / pyruvate dehydrogenase (acetyl-transferring) kinase activity / L-leucine catabolic process / branched-chain amino acid catabolic process / lipid biosynthetic process / protein serine/threonine phosphatase activity / regulation of glucose metabolic process / spermatogenesis / non-specific serine/threonine protein kinase / protein kinase activity / phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / mitochondrion / ATP binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Machius, M. / Chuang, J.L. / Wynn, M.R. / Tomchick, D.R. / Chuang, D.T. | ||||||
![]() | ![]() Title: Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase. Authors: Machius, M. / Chuang, J.L. / Wynn, M.R. / Tomchick, D.R. / Chuang, D.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 81.3 KB | Display | ![]() |
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PDB format | ![]() | 60 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 779.8 KB | Display | ![]() |
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Full document | ![]() | 792.7 KB | Display | |
Data in XML | ![]() | 16.2 KB | Display | |
Data in CIF | ![]() | 21.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 44261.582 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: C-TERMINAL HIS6-TAG / Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 78 molecules ![](data/chem/img/CL.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/K.gif)
![](data/chem/img/AGS.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/K.gif)
![](data/chem/img/AGS.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-CL / #3: Chemical | ChemComp-MG / | #4: Chemical | ChemComp-K / | #5: Chemical | ChemComp-AGS / | #6: Water | ChemComp-HOH / | |
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-Details
Sequence details | CRYSTALLIZ |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.4 Å3/Da / Density % sol: 64 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion / pH: 7.5 Details: VAPOR DIFFUSION 20C EQUAL AMOUNTS OF BCK (20 MG/ML IN 50 MM HEPES PH 7.5, 1 M SODIUM CHLORIDE,250 MM POTASSIUM CHLORIDE, 300 MM ARGININE, 20 MM BETA-MERCAPTOETHANOL 2 MM BENZAMIDINE, 2 MM MG- ...Details: VAPOR DIFFUSION 20C EQUAL AMOUNTS OF BCK (20 MG/ML IN 50 MM HEPES PH 7.5, 1 M SODIUM CHLORIDE,250 MM POTASSIUM CHLORIDE, 300 MM ARGININE, 20 MM BETA-MERCAPTOETHANOL 2 MM BENZAMIDINE, 2 MM MG-ATPGAMMAS, 2 MM MAGNESIUM CHLORIDE, 0.5 MM PMSF, 10% (W/V) GLYCEROL) AND RESERVOIR (8%(W/V) PEG-6000, 5% (V/V) ETHYLENE GLYCOL, 1 M NACL, 20 MM BETA-MERCAPTOETHANOL) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / Method: vapor diffusion | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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: MSC / Detector: IMAGE PLATE / Date: Apr 15, 2001 / Details: OSMIC MIRROR SYSTEM |
Radiation | Monochromator: OSMIC MIRROR SYSTEM / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→36.9 Å / Num. obs: 17401 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / Redundancy: 4.6 % / Biso Wilson estimate: 70 Å2 / Rmerge(I) obs: 0.053 / Net I/σ(I): 24.4 |
Reflection shell | Resolution: 2.7→2.8 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.533 / Mean I/σ(I) obs: 2 / % possible all: 96.8 |
Reflection | *PLUS Rmerge(I) obs: 0.061 |
Reflection shell | *PLUS Highest resolution: 2.7 Å / Lowest resolution: 2.8 Å / % possible obs: 96.8 % / Rmerge(I) obs: 0.582 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: BRANCHED-CHAIN ALPHA-KETOACID DEHYDROGENASE KINASE (BCK) SELENOMETHIONINE VARIANT Resolution: 2.7→36.94 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 298048.8 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: REGIONS: 1-37, 307-335, 379-388 WERE NOT SEEN IN THE REFINEMENT
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 51.4908 Å2 / ksol: 0.354628 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 56.6 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.7→36.94 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.87 Å / Rfactor Rfree error: 0.026 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.231 / Rfactor Rwork: 0.281 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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