+Open data
-Basic information
Entry | Database: PDB / ID: 1cw5 | ||||||
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Title | SOLUTION STRUCTURE OF CARNOBACTERIOCIN B2 | ||||||
Components | TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2 | ||||||
Keywords | TOXIN / ANTIMICROBIAL PEPTIDE / HELIX / BACTERIOCIN | ||||||
Function / homology | Function and homology information symbiont-mediated cytolysis of host cell / defense response to bacterium / extracellular region Similarity search - Function | ||||||
Biological species | Carnobacterium maltaromaticum (bacteria) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Wang, Y. / Henz, M.E. / Gallagher, N.L.F. / Chai, S. / Yan, L.Z. / Gibbs, A.C. / Stiles, M.E. / Wishart, D.S. / Vederas, J.C. | ||||||
Citation | Journal: Biochemistry / Year: 1999 Title: Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria. Authors: Wang, Y. / Henz, M.E. / Gallagher, N.L. / Chai, S. / Gibbs, A.C. / Yan, L.Z. / Stiles, M.E. / Wishart, D.S. / Vederas, J.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1cw5.cif.gz | 266.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1cw5.ent.gz | 230.4 KB | Display | PDB format |
PDBx/mmJSON format | 1cw5.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cw/1cw5 ftp://data.pdbj.org/pub/pdb/validation_reports/cw/1cw5 | 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
#1: Protein/peptide | Mass: 4974.490 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Carnobacterium maltaromaticum (bacteria) / References: UniProt: P38580 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D NOESY |
NMR details | Text: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES. THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY. |
-Sample preparation
Details | Contents: 5.0 MG CARNOBACTERIOCIN B2 IS DISOLVED IN 700 UL OF TFE-D3/H2O, 90%:10% V/V, PH 2.8. |
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Sample conditions | Ionic strength: 0 / pH: 2.8 / Pressure: AMBIENT / Temperature: 298 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON A TOTAL OF 319 PROTON DISTANCE RESTRAINTS, 88 DIHEDRAL ANGLE RESTRAINTS, 8 3JHNHA COUPLING CONSTANT RESTRAINTS, AND 163 PROTON CHEMICAL SHIFT RESTRAINTS. | ||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||
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 Conformers calculated total number: 30 / Conformers submitted total number: 20 |