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- PDB-2ih0: NMR structure determination of a synthetic analogue of the iturin... -
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Basic information
Entry | Database: PDB / ID: 2ih0 | ||||||
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Title | NMR structure determination of a synthetic analogue of the iturinic antibiotic bacillomycin Lc | ||||||
![]() | BACILLOMYCIN L-3 | ||||||
![]() | ANTIBIOTIC / ITURINS / ANTIFUNGAL / CYCLOPEPTIDE / LIPOPEPTIDE / SURFACTANT BACILLOMYCIN | ||||||
Function / homology | BACILLOMYCIN L-3 / : ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR / DISTANCE GEOMETRY SIMULATED ANNEALING | ||||||
![]() | Volpon, L. / Tsan, P. / Besson, F. / Lancelin, J. | ||||||
![]() | ![]() Title: NMR Structure Determination of a Synthetic Analogue of Bacillomycin Lc Reveals the Strategic Role of L-Asn1 in the Natural Iturinic Antibiotics. Authors: Volpon, L. / Tsan, P. / Majer, Z. / Vass, E. / Hollosi, M. / Noguera, V. / Lancelin, J.M. / Besson, F. #1: Journal: Eur.J.Biochem. / Year: 1999 Title: NMR Structure of Active and Inactive Forms of the Sterol-Dependent Antifungal Antibiotic Bacillomycin L Authors: Volpon, L. / Besson, F. / Lancelin, J.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 61.2 KB | Display | ![]() |
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PDB format | ![]() | 45.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 345.7 KB | Display | ![]() |
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Full document | ![]() | 372.1 KB | Display | |
Data in XML | ![]() | 4.7 KB | Display | |
Data in CIF | ![]() | 7.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2igzC C: citing same article ( |
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Similar structure data | |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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NMR ensembles |
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Components
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
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NMR experiment |
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NMR details | Text: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES |
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Sample preparation
Details | Contents: 6MM SYNTHETIC CYCLOPEPTIDE IN 100% DMSO-D6 |
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Sample conditions | Pressure: AMBIENT / Temperature: 292 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
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: DISTANCE GEOMETRY SIMULATED ANNEALING / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON A TOTAL OF 62 RESTRAINTS, 60 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 2 DIHEDRAL ANGLE RESTRAINTS. THE 31 STRUCTURES WERE DIVIDED INTO TWO FAMILIES OF SIMILAR ENERGY ...Details: THE STRUCTURES ARE BASED ON A TOTAL OF 62 RESTRAINTS, 60 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 2 DIHEDRAL ANGLE RESTRAINTS. THE 31 STRUCTURES WERE DIVIDED INTO TWO FAMILIES OF SIMILAR ENERGY WHICH ESSENTIALLY DIFFER IN THE NUMBER AND TYPE OF TURNS. THE TWO FAMILIES ARE S'1 (STRUCTURES 1-14) AND S'2 (STRUCTURES 15-31). | |||||||||||||||
NMR ensemble | Conformer selection criteria: STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS, STRUCTURES WITH THE LOWEST ENERGY Conformers calculated total number: 50 / Conformers submitted total number: 31 |