BMRB Entry 31094
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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/BMR31094
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: McShan, A.; Torres, M.. "Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)" .
Assembly members:
entity_1, polymer, 16 residues, 2198.402 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RHYYKFNSTGRHYHYY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 31 |
| 15N chemical shifts | 16 |
| 1H chemical shifts | 62 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 16 residues - 2198.402 Da.
| 1 | ARG | HIS | TYR | TYR | LYS | PHE | ASN | SER | THR | GLY | ||||
| 2 | ARG | HIS | TYR | HIS | TYR | TYR |
Samples:
sample_1: BH33 peptide 1.52 mM
sample_conditions_1: ionic strength: 50 mM; pH: 5; pressure: 1 atm; temperature: 277.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
Sparky, Goddard - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
CS-ROSETTA, Shen, Vernon, Baker and Bax - structure calculation
NMR spectrometers:
- Bruker Bruker AVIIIHD-800 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks