[English] 日本語
Yorodumi- PDB-2ih0: NMR structure determination of a synthetic analogue of the iturin... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2ih0 | ||||||
---|---|---|---|---|---|---|---|
Title | NMR structure determination of a synthetic analogue of the iturinic antibiotic bacillomycin Lc | ||||||
Components | BACILLOMYCIN L-3 | ||||||
Keywords | ANTIBIOTIC / ITURINS / ANTIFUNGAL / CYCLOPEPTIDE / LIPOPEPTIDE / SURFACTANT BACILLOMYCIN | ||||||
Function / homology | BACILLOMYCIN L-3 / : Function and homology information | ||||||
Biological species | BACILLUS SUBTILIS (bacteria) | ||||||
Method | SOLUTION NMR / DISTANCE GEOMETRY SIMULATED ANNEALING | ||||||
Authors | Volpon, L. / Tsan, P. / Besson, F. / Lancelin, J. | ||||||
Citation | Journal: Spectrochim Acta a Mol.Biomol.Spectrosc. / Year: 2007 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 |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 2ih0.cif.gz | 61.2 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb2ih0.ent.gz | 45.8 KB | Display | PDB format |
PDBx/mmJSON format | 2ih0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2ih0_validation.pdf.gz | 345.7 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 2ih0_full_validation.pdf.gz | 372.1 KB | Display | |
Data in XML | 2ih0_validation.xml.gz | 4.7 KB | Display | |
Data in CIF | 2ih0_validation.cif.gz | 7.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ih/2ih0 ftp://data.pdbj.org/pub/pdb/validation_reports/ih/2ih0 | HTTPS FTP |
-Related structure data
Related structure data | 2igzC C: citing same article (ref.) |
---|---|
Similar structure data | |
Other databases |
|
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-Components
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
| ||||||||||||||||||||
NMR details | Text: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES |
-Sample preparation
Details | Contents: 6MM SYNTHETIC CYCLOPEPTIDE IN 100% DMSO-D6 |
---|---|
Sample conditions | Pressure: AMBIENT / Temperature: 292 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
---|---|
Radiation wavelength | Relative weight: 1 |
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
-Processing
NMR software |
| |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |