BMRB Entry 25524
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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/BMR25524
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Title: NMR structure of Neuromedin C in 90% TFE
Deposition date: 2015-03-05 Original release date: 2015-10-19
Authors: Adrover, Miquel; Sanchis, Pilar; Vilanova, Bartolome; Pauwels, Kris; Martorell, Gabriel; Perez, Juan Jesus
Citation: Adrover, Miquel; Sanchis, Pilar; Vilanova, Bartolome; Pauwels, Kris; Martorell, Gabriel; Perez, Juan Jesus. "Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism" RSC ADV 5, 83074-83088 (2015).
Assembly members:
Neuromedin_C, polymer, 11 residues, 1123.295 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: obtained from a vendor
Entity Sequences (FASTA):
Neuromedin_C: GNHWAVGHLMX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 34 |
| 15N chemical shifts | 11 |
| 1H chemical shifts | 68 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 11 residues - 1123.295 Da.
| 1 | GLY | ASN | HIS | TRP | ALA | VAL | GLY | HIS | LEU | MET | ||||
| 2 | NH2 |
Samples:
sample_1: entity 5.0 ± 0.1 mM; sodium acetate 10 ± 0.1 mM; DSS 1.6 ± 0.1 mM; TFE, [U-99% 2H], 90 ± 0.5 %; H2O, [U-99% 2H], 10 ± 0.5 %
sample_conditions_1: ionic strength: 0.01 M; pH: 4.0; pressure: 1 atm; temperature: 273 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-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts