BMRB Entry 19809
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19809
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Title: Solution structure of YSCUCN in a micellar complex with SDS
Deposition date: 2014-02-20 Original release date: 2014-11-24
Authors: Weise, Christoph; Wolf-Watz, Magnus
Citation: Weise, Christoph; Login, Frederic; Ho, Oanh; Grobner, Gerhard; Wolf-Watz, Hans; Wolf-Watz, Magnus. "Negatively Charged Lipid Membranes Promote a Disorder-Order Transition in the Yersinia YscU Protein" Biophys. J. 107, 1950-1961 (2014).
Assembly members:
entity, polymer, 58 residues, 6832.921 Da.
Natural source: Common Name: Yersinia pseudotuberculosis Taxonomy ID: 633 Superkingdom: Bacteria Kingdom: not available Genus/species: Yersinia pseudotuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GPLGSIKELKMSKDEIKREY
KEMEGSPEIKSKRRQFHQEI
QSRNMRENVKRSSVVVAN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 95 |
| 13C chemical shifts | 55 |
| 15N chemical shifts | 55 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 58 residues - 6832.921 Da.
| 1 | GLY | PRO | LEU | GLY | SER | ILE | LYS | GLU | LEU | LYS | ||||
| 2 | MET | SER | LYS | ASP | GLU | ILE | LYS | ARG | GLU | TYR | ||||
| 3 | LYS | GLU | MET | GLU | GLY | SER | PRO | GLU | ILE | LYS | ||||
| 4 | SER | LYS | ARG | ARG | GLN | PHE | HIS | GLN | GLU | ILE | ||||
| 5 | GLN | SER | ARG | ASN | MET | ARG | GLU | ASN | VAL | LYS | ||||
| 6 | ARG | SER | SER | VAL | VAL | VAL | ALA | ASN |
Samples:
sample_1: protein, [U-99% 13C; U-99% 15N], 100 uM; sodium phosphate 30 mM; sodium chloride 50 mM; SDS 26 mM
sample_conditions_1: temperature: 310 K; pH: 6.0; pressure: 1 atm; ionic strength: 0.12 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ANSIG, Kraulis - chemical shift assignment
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
ProcheckNMR, Laskowski and MacArthur - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| EMBL | CAB54924 CAF25417 CAL10055 CBW54704 CBY78168 |
| GB | AAA27681 AAC62556 AAC69784 AAD16831 AAK69230 |
| REF | NP_052408 NP_395181 NP_783682 NP_857735 NP_857930 |
| SP | P69986 P69987 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts