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- PDB-1i2v: NMR SOLUTION STRUCTURES OF AN ANTIFUNGAL AND ANTIBACTERIAL MUTANT... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1i2v | ||||||
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Title | NMR SOLUTION STRUCTURES OF AN ANTIFUNGAL AND ANTIBACTERIAL MUTANT OF HELIOMICIN | ||||||
![]() | DEFENSIN HELIOMICIN | ||||||
![]() | ANTIMICROBIAL PROTEIN / alpha-beta protein / CSab motif (cysteine stabilized alpha-helix beta-sheet motif) | ||||||
Function / homology | ![]() defense response to fungus / killing of cells of another organism / innate immune response / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / torsion angle dynamics (DYANA), energy minimisation (XPLOR) | ||||||
![]() | Lamberty, M. / Caille, A. / Landon, C. / Tassin-Moindrot, S. / Hetru, C. / Bulet, P. / Vovelle, F. | ||||||
![]() | ![]() 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. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 223.8 KB | Display | ![]() |
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PDB format | ![]() | 190.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 357.3 KB | Display | ![]() |
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Full document | ![]() | 489.3 KB | Display | |
Data in XML | ![]() | 19 KB | Display | |
Data in CIF | ![]() | 30.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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: 4736.310 Da / Num. of mol.: 1 / Mutation: K23L, R24L Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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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. |
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Sample preparation
Details | Contents: 4 mM heliomicin-LL ; 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 |
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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 120 intra-residue, 172 sequential, 108 medium range, 190 long range NOE-derived distance restraints, 9 distances restraints corresponding to the 3 ...Details: the structures are based on a total of 120 intra-residue, 172 sequential, 108 medium range, 190 long range NOE-derived distance restraints, 9 distances restraints corresponding to the 3 disulfide bridge, 100 dihedral angle restraints, and 13 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 |