+Open data
-Basic information
Entry | Database: PDB / ID: 2z3s | ||||||
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Title | NMR structure of AgTx2-MTX | ||||||
Components | AgTx2-MTX | ||||||
Keywords | TOXIN / Inhibitory Cystine Knot / Chimera / Maurotoxin / Agitoxin | ||||||
Method | SOLUTION NMR / Molecular dynamics based simulated annealing | ||||||
Authors | Pimentel, C. / M'Barrek, S. / Visan, V. / Grissmer, S. / Sabatier, J.M. / Darbon, H. / Fajloun, Z. | ||||||
Citation | Journal: Protein Sci. / Year: 2008 Title: Chemical synthesis and 1H-NMR 3D structure determination of AgTx2-MTX chimera, a new potential blocker for Kv1.2 channel, derived from MTX and AgTx2 scorpion toxins. Authors: Pimentel, C. / M'Barek, S. / Visan, V. / Grissmer, S. / Sampieri, F. / Sabatier, J.M. / Darbon, H. / Fajloun, Z. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2z3s.cif.gz | 238.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2z3s.ent.gz | 209.9 KB | Display | PDB format |
PDBx/mmJSON format | 2z3s.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/z3/2z3s ftp://data.pdbj.org/pub/pdb/validation_reports/z3/2z3s | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 4107.848 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: Solid-Phase Synthesis |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1MM / Solvent system: 90% H2O/10% D2O |
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Sample conditions | pH: 3 / Pressure: 1 atm / Temperature: 290 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: Molecular dynamics based simulated annealing / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with acceptable covalent geometry Conformers calculated total number: 50 / Conformers submitted total number: 20 |