BMRB Entry 15099
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15099
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Title: Solution structure of CM15 in DPC micelles PubMed: 17397158
Deposition date: 2007-01-10 Original release date: 2007-09-12
Authors: Respondek, Michal; Madl, Tobias; Goebl, Christoph; Golser, Regina; Zangger, Klaus
Citation: Respondek, Michal; Madl, Tobias; Goebl, Christoph; Golser, Regina; Zangger, Klaus. "Mapping the orientation of helices in micelle-bound peptides by paramagnetic relaxation waves" J. Am. Chem. Soc. 129, 5228-5234 (2007).
Assembly members:
CM15, polymer, 15 residues, 1776.343 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis Host organism: not applicable
Entity Sequences (FASTA):
CM15: KWKLFKKIGAVLKVL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 26 |
| 1H chemical shifts | 80 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CM15 | 1 |
Entities:
Entity 1, CM15 15 residues - 1776.343 Da.
| 1 | LYS | TRP | LYS | LEU | PHE | LYS | LYS | ILE | GLY | ALA | ||||
| 2 | VAL | LEU | LYS | VAL | LEU |
Samples:
sample_1: CM15 1.7 mM; DPC, [U-2H], 100 mM; KPi 50 mM; Sodium azide 0.02%
sample_conditions_1: ionic strength: 0.15 M; pH: 5.0; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHACANH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCOCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY arom | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CCCONH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCOCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY RD1 | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHACACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCCONH TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 500 MHz