BMRB Entry 4640
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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/BMR4640
MolProbity Validation Chart
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NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Yang, Y.; Mitta, G.; Chavanieu, A.; Calas, B.; Sanchez, J.; Roch, P.; Aumelas, A.. "Solution structure and activity of the four disulfide bond Mediterranean mussel
defensin MGD-1" Biochemistry 39, 14436-14447 (2000).
PubMed: 11087396
Assembly members:
DEFENSIN MGD-1, polymer, 40 residues, Formula weight is not available
Natural source: Common Name: Mediterranean mussel Taxonomy ID: 29158 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mytilus galloprovincialis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
DEFENSIN MGD-1: GFGCPNNYQCHRHCKSIPGR
CGGYCGGWHRLRCTCYRCGX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 236 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DEFENSIN MGD-1 | 1 |
Entities:
Entity 1, DEFENSIN MGD-1 40 residues - Formula weight is not available
| 1 | GLY | PHE | GLY | CYS | PRO | ASN | ASN | TYR | GLN | CYS | |
| 2 | HIS | ARG | HIS | CYS | LYS | SER | ILE | PRO | GLY | ARG | |
| 3 | CYS | GLY | GLY | TYR | CYS | GLY | GLY | TRP | HIS | ARG | |
| 4 | LEU | ARG | CYS | THR | CYS | TYR | ARG | CYS | GLY | NH2 |
Samples:
sample_1: DEFENSIN MGD-1 3 mM; H2O 95%; D2O 5%
sample_cond_1: pH: 3.3; pressure: 1 atm; temperature: 285 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D COSY | sample_1 | not available | sample_cond_1 |
| TOCSY | sample_1 | not available | sample_cond_1 |
| NOESY | sample_1 | not available | sample_cond_1 |
Software:
X-PLOR v3.1 - refinement
NMR spectrometers:
- Bruker AMX 600 MHz