BMRB Entry 30683
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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/BMR30683
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Solomon, P.. "Solution structure of the cyclic peptide 3.1B" .
Assembly members:
entity_1, polymer, 16 residues, 1916.273 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XWKTIXGXTWRTXQCX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 111 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 16 residues - 1916.273 Da.
| 1 | ACE | TRP | LYS | THR | ILE | ALY | GLY | ALY | THR | TRP | ||||
| 2 | ARG | THR | ALY | GLN | CYS | NH2 |
Samples:
sample_1: 3.1B 835 uM; Phosphate Buffer 10 mM
sample_conditions_1: ionic strength: 0 mM; pH: 7.2; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 1D | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.98.5, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CcpNmr Analysis, CCPN - peak picking
NMR spectrometers:
- Bruker AVANCE III 800 MHz