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Yorodumi- PDB-1fjn: SOLUTION STRUCTURE AND ACTIVITY OF THE FOUR DISULFIDE BOND MEDITE... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1fjn | ||||||
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Title | SOLUTION STRUCTURE AND ACTIVITY OF THE FOUR DISULFIDE BOND MEDITERRANEAN MUSSEL DEFENSIN MGD-1 | ||||||
Components | DEFENSIN MGD-1 | ||||||
Keywords | ANTIMICROBIAL PROTEIN / Defensin / Cystine stabilized alpha-beta motif / antibacterial / disulfide bond / synthesis | ||||||
Function / homology | Arthropod defensin / Invertebrate defensins family profile. / Defensin, invertebrate/fungal / Knottin, scorpion toxin-like superfamily / defense response to bacterium / innate immune response / extracellular region / Defensin MGD-1 Function and homology information | ||||||
Method | SOLUTION NMR / distance geometry | ||||||
Authors | Yang, Y.S. | ||||||
Citation | Journal: Biochemistry / Year: 2000 Title: Solution structure and activity of the synthetic four-disulfide bond Mediterranean mussel defensin (MGD-1). Authors: Yang, Y.S. / Mitta, G. / Chavanieu, A. / Calas, B. / Sanchez, J.F. / Roch, P. / Aumelas, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1fjn.cif.gz | 223 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1fjn.ent.gz | 193.4 KB | Display | PDB format |
PDBx/mmJSON format | 1fjn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1fjn_validation.pdf.gz | 344.9 KB | Display | wwPDB validaton report |
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Full document | 1fjn_full_validation.pdf.gz | 455.6 KB | Display | |
Data in XML | 1fjn_validation.xml.gz | 12.7 KB | Display | |
Data in CIF | 1fjn_validation.cif.gz | 21.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fj/1fjn ftp://data.pdbj.org/pub/pdb/validation_reports/fj/1fjn | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 4417.127 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: MGD-1 WAS OBTAINED BY SOLID PHASE SYNTHESIS BY USING THE FMOC STRATEGY. THE SEQUENCE OF THIS PEPTIDE OCCURS NATURALLY IN MEDITERRANEAN MUSSEL (MYTILUS GALLOPROVINCIALIS) References: UniProt: P80571 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D COSY TOCSY NOESY |
NMR details | Text: This structure was determined using standard 2D homonuclear techniques. Several data sets were recorded at temperature ranging from 280 to 320 degres Kelvin |
-Sample preparation
Details | Contents: 3 mM MGD-1 solution (0.15ml in a Shigemi tube), pH 3.3 Solvent system: 95% H2O/5% D2O |
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Sample conditions | Ionic strength: nd / pH: 3.3 / Pressure: ambient / Temperature: 285 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 600 MHz |
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-Processing
NMR software | Name: X-PLOR / Version: 3.1 / Developer: Brunger / Classification: refinement |
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Refinement | Method: distance geometry / Software ordinal: 1 |
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 |