+Open data
-Basic information
Entry | Database: PDB / ID: 2l2x | ||||||
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Title | Thiostrepton, oxidized at CA-CB bond of residue 9 | ||||||
Components | Thiostrepton | ||||||
Keywords | ANTIBIOTIC / Natural antibiotic / Thiopeptide / Antimicrobial / ANTIBACTERIAL / thiazole / thiazoline | ||||||
Function / homology | Thiazolylpeptide-type bacteriocin precursor / defense response to bacterium / extracellular region / THIOPEPTIDE THIOSTREPTON OXIDIZED AT CA-CB BOND OF RESIDUE 9 / Thiostrepton Function and homology information | ||||||
Biological species | Streptomyces azureus (bacteria) | ||||||
Method | SOLUTION NMR / simulated annealing, torsion angle dynamics | ||||||
Model details | lowest energy, model 1 | ||||||
Authors | Jonker, H.R.A. / Baumann, S. / Wolf, A. / Schoof, S. / Hiller, F. / Schulte, K.W. / Kirschner, K.N. / Schwalbe, H. / Arndt, H.-D. | ||||||
Citation | Journal: Angew.Chem.Int.Ed.Engl. / Year: 2011 Title: NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site. Authors: Jonker, H.R. / Baumann, S. / Wolf, A. / Schoof, S. / Hiller, F. / Schulte, K.W. / Kirschner, K.N. / Schwalbe, H. / Arndt, H.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2l2x.cif.gz | 65.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2l2x.ent.gz | 49.5 KB | Display | PDB format |
PDBx/mmJSON format | 2l2x.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/l2/2l2x ftp://data.pdbj.org/pub/pdb/validation_reports/l2/2l2x | 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
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR Details: Thiostrepton derivative (oxidized at CA-CB bond, residue BB9 9, in 5:1 chloroform-d ethanol-d5) | ||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 10 mM thiostrepton (BB9, 9), chloroform-d/ethanol-d5 5:1 Solvent system: chloroform-d/ethanol-d5 5:1 |
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Sample | Conc.: 10 mM / Component: thiostrepton (BB9,9) |
Sample conditions | Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing, torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 167 / NOE intraresidue total count: 63 / NOE long range total count: 47 / NOE sequential total count: 49 | ||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 |