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- PDB-1nvl: RDC-refined NMR structure of bovine Acyl-coenzyme A Binding Prote... -
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Basic information
Entry | Database: PDB / ID: 1nvl | ||||||
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Title | RDC-refined NMR structure of bovine Acyl-coenzyme A Binding Protein, ACBP, in complex with palmitoyl-coenzyme A | ||||||
![]() | Acyl-CoA-binding protein | ||||||
![]() | LIGAND BINDING PROTEIN / 4-alpha-helix bundle / protein-ligand complex / palmitoyl-coenzyme A | ||||||
Function / homology | ![]() Mitochondrial Fatty Acid Beta-Oxidation / fatty-acyl-CoA binding / fatty acid metabolic process / Golgi apparatus / endoplasmic reticulum / mitochondrion Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR / SIMULATED ANNEALING, RESTRAINED MOLECULAR DYNAMICS IN FULL CHARMM FORCE FIELD | ||||||
![]() | Lerche, M.H. / Kragelund, B.B. / Redfield, C. / Poulsen, F.M. | ||||||
![]() | ![]() Title: RDC-refined NMR structure of bovine Acyl-coenzyme A Binding Protein, ACBP, in complex with palmitoyl-coenzyme A Authors: Lerche, M.H. / Kragelund, B.B. / Redfield, C. / Poulsen, F.M. #1: ![]() Title: Three-dimensional structure of the complex between acyl-coenzyme A binding protein and palmitoyl-coenzyme A. Authors: Kragelund, B.B. / Andersen, K.V. / Madsen, J.C. / Knudsen, J. / Poulsen, F.M. #2: ![]() Title: The three-dimensional structure of acyl-coenzyme A binding protein from bovine liver: structural refinement using heteronuclear multidimensional NMR spectroscopy. Authors: Andersen, K.V. / Poulsen, F.M. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 660.4 KB | Display | ![]() |
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PDB format | ![]() | 560.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 477.4 KB | Display | ![]() |
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Full document | ![]() | 645.3 KB | Display | |
Data in XML | ![]() | 51.3 KB | Display | |
Data in CIF | ![]() | 72.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 9931.289 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-COA / |
#3: Chemical | ChemComp-PLM / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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NMR details | Text: REFINEMENT OF EARLIER PDB DEPOSIT, 1ACA, SEE ENTRY FOR DETAILS. NOE AND DIHEDRAL ANGLE CONSTRAINTS OBTAINED AND MODIFIED FROM THIS ENTRY. RESIDUAL DIPOLAR COUPLINGS ADDED AS ADDITIONAL RESTRAINTS. |
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Sample preparation
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Sample conditions |
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-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
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Radiation wavelength | Relative weight: 1 | |||||||||||||||
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: SIMULATED ANNEALING, RESTRAINED MOLECULAR DYNAMICS IN FULL CHARMM FORCE FIELD Software ordinal: 1 | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |