BMRB Entry 6891
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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/BMR6891
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Title: Solution structure of MrIA PubMed: 15931669
Deposition date: 2005-11-10 Original release date: 2008-07-17
Authors: Craik, D.; Daly, N.
Citation: Nilsson, K.; Lovelace, E.; Caesar, C.; Tynngard, N.; Alewood, P.; Johansson, H.; Sharpe, I.; Lewis, R.; Daly, N.; Craik, D.. "Solution structure of chi-conopeptide MrIA, a modulator of the human norepinephrine transporter" Biopolymers 80, 815-823 (2005).
Assembly members:
MrIA, polymer, 14 residues, Formula weight is not available
Natural source: Common Name: Conus marmoreus Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus marmoreus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
MrIA: NGVCCGYKLCHXCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MrIA | 1 |
Entities:
Entity 1, MrIA 14 residues - Formula weight is not available
| 1 | ASN | GLY | VAL | CYS | CYS | GLY | TYR | LYS | LEU | CYS | ||||
| 2 | HIS | HYP | CYS | NH2 |
Samples:
sample_1: MrIA 2 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 1 mM; pH: 3.5; pressure: 1 atm; temperature: 287 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| E-COSY | sample_1 | not available | sample_cond_1 |
Software:
XWINNMR v3.5 - collection
XEASY v1.3.7 - data analysis
DYANA v1.5 - structure solution
CNS v1.1 - refinement, structure solution
NMR spectrometers:
- Bruker AVANCE 750 MHz