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- PDB-1tor: MOLECULAR DYNAMICS SIMULATION FROM 2D-NMR DATA OF THE FREE ACHR M... -
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Basic information
Entry | Database: PDB / ID: 1tor | ||||||
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Title | MOLECULAR DYNAMICS SIMULATION FROM 2D-NMR DATA OF THE FREE ACHR MIR DECAPEPTIDE AND THE ANTIBODY-BOUND [A76]MIR ANALOGUE | ||||||
![]() | ACETYLCHOLINE RECEPTOR, MAIN IMMUNOGENIC REGION | ||||||
![]() | TRANSMEMBRANE PROTEIN | ||||||
Function / homology | ![]() acetylcholine-gated monoatomic cation-selective channel activity / transmembrane signaling receptor activity / postsynaptic membrane / neuron projection Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR | ||||||
![]() | Orlewski, P. / Tsikaris, V. / Sakarellos, C. / Sakarellos-Daistiotis, M. / Vatzaki, E. / Tzartos, S.J. / Marraud, M. / Cung, M.T. | ||||||
![]() | ![]() Title: Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data. Authors: Orlewski, P. / Marraud, M. / Cung, M.T. / Tsikaris, V. / Sakarellos-Daitsiotis, M. / Sakarellos, C. / Vatzaki, E. / Tzartos, S.J. #1: ![]() Title: Conformational Requirements for Molecular Recognition of Acetylcholine Receptor Main Immunogenic Region (Mir) Analogues by Monoclonal Anti-Mir Antibody: A Two-Dimensional Nuclear Magnetic ...Title: Conformational Requirements for Molecular Recognition of Acetylcholine Receptor Main Immunogenic Region (Mir) Analogues by Monoclonal Anti-Mir Antibody: A Two-Dimensional Nuclear Magnetic Resonance and Molecular Dynamics Approach Authors: Tsikaris, V. / Desticas, E. / Sakarellos-Daistiotis, M. / Sakarellos, C. / Cung, M.T. / Marraud, M. / Vatzaki, E. / Tzartos, S.J. #2: ![]() Title: 2D-NMR and Molecular Dynamics Analysis of the Torpedo Californica Acetylcholine Receptor Alpha67-76 Fragment and of its [Ala76]-Analogue Authors: Cung, M.T. / Tsikaris, V. / Demange, P. / Papadouli, I. / Tzartos, S. / Sakarellos, C. / Marraud, M. #3: ![]() Title: Two-Dimensional 1H-NMR Study of Antigen-Antibody Interactions: Binding of Synthetic Decapeptides to an Anti-Acetylcholine Receptor Monoclonal Antibody Authors: Cung, M.T. / Demange, P. / Marraud, M. / Tsikaris, V. / Papadouli, I. / Sakarellos, C. / Kokla, A. / Tzartos, S.J. #4: ![]() Title: Two-Dimensional 1H-NMR Study of Synthetic Peptides Containing the Main Immunogenic Region of the Torpedo Acetylcholine Receptor Authors: Cung, M.T. / Marraud, M. / Hadjidakis, I. / Bairaktari, E. / Sakarellos, C. / Kokla, A. / J Tzartos, S. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Validation report
Summary document | ![]() | 341.6 KB | Display | ![]() |
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Full document | ![]() | 353.7 KB | Display | |
Data in XML | ![]() | 2.5 KB | Display | |
Data in CIF | ![]() | 3 KB | Display | |
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-Related structure data
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Assembly
Deposited unit | ![]()
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1 |
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 1121.223 Da / Num. of mol.: 1 / Source method: isolated from a natural source Source: (natural) ![]() ![]() References: UniProt: P02710 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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Sample preparation
Crystal grow | *PLUS Method: other |
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Processing
NMR software |
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NMR ensemble | Conformers submitted total number: 5 |