BMRB Entry 5613
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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/BMR5613
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Russell, S.; Blandl, T.; Skelton, N.; Cochran, A.. "Stability of cyclic beta-hairins: asymmetric contributions from side chains of a
hydrogen-bonded cross-strand residue pair" .
Assembly members:
bhpW, polymer, 12 residues, 1261 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
bhpW: XCTWEGNKLTCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 62 |
| coupling constants | 19 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | bhpW | 1 |
Entities:
Entity 1, bhpW 12 residues - 1261 Da.
| 1 | ACE | CYS | THR | TRP | GLU | GLY | ASN | LYS | LEU | THR | ||||
| 2 | CYS | NH2 |
Samples:
sample_1: bhpW 5 mM
sample_cond_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| 2D ROESY | sample_1 | not available | sample_cond_1 |
| 2D COSY-35 | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr v3.1 - collection
FELIX v980 - data analysis
DGII v980 - structure solution
AMBER v6.0 - refinement
NMR spectrometers:
- Bruker DRX 500 MHz