+Open data
-Basic information
Entry | Database: PDB / ID: 1zue | ||||||
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Title | Revised Solution Structure of DLP-2 | ||||||
Components | Defensin-like peptide 2/4 | ||||||
Keywords | TOXIN / helix / antiparallel beta-sheet | ||||||
Function / homology | Function and homology information | ||||||
Method | SOLUTION NMR / distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics | ||||||
Authors | Torres, A.M. / Tsampazi, C. / Geraghty, D.P. / Bansal, P.S. / Alewood, P.F. / Kuchel, P.W. | ||||||
Citation | Journal: Biochem.J. / Year: 2005 Title: D-amino acid residue in a defensin-like peptide from platypus venom: effect on structure and chromatographic properties. Authors: Torres, A.M. / Tsampazi, C. / Geraghty, D.P. / Bansal, P.S. / Alewood, P.F. / Kuchel, P.W. #1: Journal: Biochem.J. / Year: 2000 Title: Defensin-like peptide-2 from platypus venom: member of a class of peptides with a distinct structural fold Authors: Torres, A.M. / de Plater, G.M. / Doverskog, M. / Birinyi-Strachan, L.C. / Nicholson, G.M. / Gallagher, C.H. / Kuchel, P.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1zue.cif.gz | 264.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1zue.ent.gz | 228.3 KB | Display | PDB format |
PDBx/mmJSON format | 1zue.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zu/1zue ftp://data.pdbj.org/pub/pdb/validation_reports/zu/1zue | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 5121.899 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: chemically synthesized / References: UniProt: P82140 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D NOESY |
NMR details | Text: This structure was determined using standard 2D homonuclear techniques |
-Sample preparation
Details | Contents: 1mM DLP-2 / Solvent system: 90% H20, 10% D2O |
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Sample conditions | pH: 3.6 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics Software ordinal: 1 Details: The structures are based on a total of 739 restraints, 699 are NOE-derived distance constraints, 24 dihedral angle restraints, 16 distance restraints from hydrogen bonds. | ||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 500 / Conformers submitted total number: 20 |