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Yorodumi- PDB-1mqz: NMR solution structure of type-B lantibiotics mersacidin bound to... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1mqz | ||||||
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Title | NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles | ||||||
Components | LANTIBIOTIC MERSACIDIN | ||||||
Keywords | ANTIBIOTIC / ANTIMICROBIAL / LANTIBIOTICS / BACTERIOCIN / PEPTIDOGLYCAN / METHICILLIN RESISTANCE / THIOESTER | ||||||
Function / homology | Type 2 lantibiotic, leader peptide domain / killing of cells of another organism / defense response to bacterium / signaling receptor binding / Mersacidin / Lantibiotic mersacidin Function and homology information | ||||||
Biological species | BACILLUS SP. HIL-Y85/54728 (bacteria) | ||||||
Method | SOLUTION NMR / SIMULATED ANNEALING TORSION, ANGLE DYNAMICS | ||||||
Authors | Hsu, S.-T. / Breukink, E. / Bierbaum, G. / Sahl, H.-G. / de Kruijff, B. / Kaptein, R. / van Nuland, N.A. / Bonvin, A.M. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2003 Title: NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity Authors: Hsu, S.-T. / Breukink, E. / Bierbaum, G. / Sahl, H.-G. / De Kruijff, B. / Kaptein, R. / Van Nuland, N.A. / Bonvin, A.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1mqz.cif.gz | 78.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1mqz.ent.gz | 61.9 KB | Display | PDB format |
PDBx/mmJSON format | 1mqz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mq/1mqz ftp://data.pdbj.org/pub/pdb/validation_reports/mq/1mqz | HTTPS FTP |
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-Related structure data
Related structure data | 1mqxC 1mqyC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-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 | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: micelle Contents: 2 mM mersacidin in 10 mM sodium phosphate buffer at pH 6.0, 2mM unlabeled lipid II, 100mM perdeuterated DPC, 37% methanol/63% H2O Label: sample_1 / Solvent system: 37% methanol/63% H2O |
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Sample conditions | pH: 6.0 / Pressure: 1 atm / Temperature: 293 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-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 |
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-Processing
NMR software |
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Refinement | Method: SIMULATED ANNEALING TORSION, ANGLE DYNAMICS / Software ordinal: 1 / Details: OPLS WATER REFINEMENT | ||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 17 |