BMRB Entry 6020
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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/BMR6020
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Citation: Powers, Jon-Paul; Rozek, Annett; Hancock, Robert. "Structure-activity relationships for the beta-hairpin cationic antimicrobial
peptide polyphemusin I" Biochim. Biophys. Acta 1698, 239-250 (2004).
PubMed: 15134657
Assembly members:
Polyphemusin I, polymer, 19 residues, Formula weight is not available
NH2, non-polymer, 16.023 Da.
Natural source: Common Name: Horseshoe crab Taxonomy ID: 61202 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tachypleus polyphemus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Polyphemusin I: RRWCFRVCYRGFCYRKCRX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 139 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | polyphemusin I | 1 |
Entities:
Entity 1, polyphemusin I 19 residues - Formula weight is not available
| 1 | ARG | ARG | TRP | CYS | PHE | ARG | VAL | CYS | TYR | ARG | ||||
| 2 | GLY | PHE | CYS | TYR | ARG | LYS | CYS | ARG | NH2 |
Samples:
sample_1: Polyphemusin I 2 mM
Condition_1: pH: 4.0; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H NOESY | sample_1 | not available | Condition_1 |
| 1H TOCSY | sample_1 | not available | Condition_1 |
| 1H DQF-COSY | sample_1 | not available | Condition_1 |
Software:
NMRView v5.0.3 - Integration of NOESY peak volumes.
X-PLOR NIH v2.9.0 - Distance geometry simulated annealing
NMR spectrometers:
- Varian INOVA 600 MHz