+Open data
-Basic information
Entry | Database: PDB / ID: 1i2u | ||||||
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Title | NMR SOLUTION STRUCTURES OF ANTIFUNGAL HELIOMICIN | ||||||
Components | DEFENSIN HELIOMICIN | ||||||
Keywords | ANTIFUNGAL PROTEIN / alpha-beta protein / CSab motif (cysteine stabilized alpha-helix beta-sheet motif) | ||||||
Function / homology | Function and homology information defense response to fungus / killing of cells of another organism / innate immune response / extracellular region Similarity search - Function | ||||||
Biological species | Heliothis virescens (tobacco budworm) | ||||||
Method | SOLUTION NMR / torsion angle dynamics (DYANA), energy minimisation (XPLOR) | ||||||
Authors | Lamberty, M. / Caille, A. / Landon, C. / Tassin-Moindrot, S. / Hetru, C. / Bulet, P. / Vovelle, F. | ||||||
Citation | Journal: Biochemistry / Year: 2001 Title: Solution structures of the antifungal heliomicin and a selected variant with both antibacterial and antifungal activities. Authors: Lamberty, M. / Caille, A. / Landon, C. / Tassin-Moindrot, S. / Hetru, C. / Bulet, P. / Vovelle, F. #1: Journal: J.Biol.Chem. / Year: 1999 Title: Insect Immunity. Isolation from the Lepidopteran Heliothis virescens of a Novel Insect Defensin with Potent Antifungal Activity Authors: LAMBERTY, M. / ADES, S. / UTTENWEILER-JOSEPH, S. / BROOKHART, G. / BUSHEY, D. / HOFFMANN, J.A. / BULET, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1i2u.cif.gz | 226.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1i2u.ent.gz | 194.7 KB | Display | PDB format |
PDBx/mmJSON format | 1i2u.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i2/1i2u ftp://data.pdbj.org/pub/pdb/validation_reports/i2/1i2u | 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: 4796.368 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Heliothis virescens (tobacco budworm) / Plasmid: PSEA2 / Production host: Saccharomyces cerevisiae (brewer's yeast) / Strain (production host): TGY 48-1 / References: UniProt: P81544 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D 1H DQF-COSY; TQF-COSY; TOCSY; NOESY |
NMR details | Text: This structure was determined using standard 2D homonuclear techniques. |
-Sample preparation
Details | Contents: 4 mM heliomicin ; 40mM sodium acetate buffer / Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 40mM sodium acetate buffer / pH: 4.3 / Pressure: ambient / Temperature: 293 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M |
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Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 500 MHz |
-Processing
NMR software |
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Refinement | Method: torsion angle dynamics (DYANA), energy minimisation (XPLOR) Software ordinal: 1 Details: the structures are based on a total of 130 intra-residue, 163 sequential, 105 medium range, 198 long range NOE-derived distance restraints, 9 distances restraints corresponding to the 3 ...Details: the structures are based on a total of 130 intra-residue, 163 sequential, 105 medium range, 198 long range NOE-derived distance restraints, 9 distances restraints corresponding to the 3 disulfide bridge, 85 dihedral angle restraints, and 14 distance restraints for hydrogen bonds | |||||||||||||||
NMR representative | Selection criteria: lowest target function | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy, target function Conformers calculated total number: 40 / Conformers submitted total number: 18 |