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- PDB-1cw8: SOLUTION STRUCTURE OF THE ANALOGUE RETRO-INVERSO (mA-R)REGRIGGC I... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1cw8 | ||||||
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Title | SOLUTION STRUCTURE OF THE ANALOGUE RETRO-INVERSO (mA-R)REGRIGGC IN CONTACT WITH THE MONOCLONAL ANTIBODY MAB 4X11, NMR, 6 STRUCTURES | ||||||
![]() | HISTONE H3![]() | ||||||
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Function / homology | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Phan Chan Du, A. / Petit, M.C. / Guichard, G. / Briand, J.P. / Muller, S. / Cung, T. | ||||||
![]() | ![]() Title: Structure of antibody-bound peptides and retro-inverso analogues. A transferred nuclear Overhauser effect spectroscopy and molecular dynamics approach. Authors: Phan-Chan-Du, A. / Petit, M.C. / Guichard, G. / Briand, J.P. / Muller, S. / Cung, M.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 | ![]() | 19.7 KB | Display | ![]() |
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PDB format | ![]() | 14.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1cs9C ![]() 1ct6C ![]() 1cvqC ![]() 1cwzC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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/peptide | ![]() Mass: 846.980 Da / Num. of mol.: 1 / Fragment: C-TERMINAL DOMAIN 130-135 / Source method: obtained synthetically Details: The peptide was chemically synthesized. The sequence CGG was added as a linker to the dextran matrix in Biacore experiments via the Cys thiol group. NH2-CO was added at the C-terminal ...Details: The peptide was chemically synthesized. The sequence CGG was added as a linker to the dextran matrix in Biacore experiments via the Cys thiol group. NH2-CO was added at the C-terminal extremity of the retro-inverso peptide in order to mimic the N-terminal of the parent peptide. All non glycine residues present a D-configuration except CYS. Two RI(mA) diastereisomers were obtained and couldn't be separated. |
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#2: Chemical | ChemComp-DXX / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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NMR experiment | Type![]() ![]() ![]() |
NMR details | Text: The peptide/mAb molar ratio was adjusted to 50/1(i.e. 5 mM of peptide and 0.1 mM of mAb) |
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Sample preparation
Details | Contents: 5 mM peptide, 0.1 mM mAb; 100 mM phosphate buffer containning 0.02% sodium azide Solvent system: 95% H2O/5% D2O |
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Sample conditions | Ionic strength: 0.1M phosphate / pH: 7 / Pressure: 1 atm / Temperature: 277 K |
Crystal grow![]() | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model![]() |
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Processing
NMR software |
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Refinement | Method: Energy minimisation Molecular dynamics (Simulated Annealing) Software ordinal: 1 Details: The structures are based on a set of 35 to 60 backbone-backbone, backbone-side chain and side chain-side chain distance restraints. The phi angle for the non glycine D-residues was ...Details: The structures are based on a set of 35 to 60 backbone-backbone, backbone-side chain and side chain-side chain distance restraints. The phi angle for the non glycine D-residues was constrained between 0 and 175. A distance dependent dielectric constant equal to 4r was applied. The net electric charges were decreased, while those of the N and C terminal charged groups were neglected. | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 6 |