BMRB Entry 20116
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR20116
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Gayen, Anindita; Goswami, Sudipto Kishore; Mukhopadhyay, Chaitali. "NMR evidence of GM1-induced conformational change of Substance P using isotropic bicelles." Biochim. Biophys. Acta 1808, 127-139 (2011).
PubMed: 20937248
Assembly members:
Substance_P, polymer, 11 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Substance_P: RPKPQQFFGLM
- assigned_chemical_shifts
- conformer_family_coord_set
| Data type | Count |
| 1H chemical shifts | 88 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Substance P | 1 |
Entities:
Entity 1, Substance P 11 residues - Formula weight is not available
| 1 | ARG | PRO | LYS | PRO | GLN | GLN | PHE | PHE | GLY | LEU | ||||
| 2 | MET |
Samples:
Substance_P_in_bicelle: Substance P 3.7 mM; DMPC/CHAPS bicelles 92.5 mM; H2O mM
bicellar_solution: pH: 5.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | Substance_P_in_bicelle | isotropic | bicellar_solution |
| 2D 1H-1H NOESY | Substance_P_in_bicelle | isotropic | bicellar_solution |
| 2D DQF-COSY | Substance_P_in_bicelle | isotropic | bicellar_solution |
Software:
X-PLOR NIH, Charles Schwieters - refinement, structure solution
NMR spectrometers:
- Bruker DRX 500 MHz