BMRB Entry 30350
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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/BMR30350
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Title: Solution NMR Structure of Unbound P18-I10 PubMed: 29988068
Deposition date: 2017-10-10 Original release date: 2018-07-19
Authors: Flores-Solis, D.; McShan, A.; Sgourakis, N.
Citation: McShan, A.; Natarajan, K.; Flores-Solis, D.; Kumirov, V.; Jiang, J.; Badstubner, M.; Marguiles, D.; Sgourakis, N.. "Peptide exchange on MHC-I by TAPBPR is driven by negative allosteric release cycle." Nat. Chem. Biol. 14, 811-820 (2018).
Assembly members:
entity_1, polymer, 10 residues, 1075.265 Da.
Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: RGPGRAFVTI
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 30 |
| 15N chemical shifts | 8 |
| 1H chemical shifts | 35 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 10 residues - 1075.265 Da.
| 1 | ARG | GLY | PRO | GLY | ARG | ALA | PHE | VAL | THR | ILE |
Samples:
sample_1: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE 1.0 ± 0.1 mM
sample_2: ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, [U-99% 13C; U-99% 15N], 1.00 ± 0.1 mM
sample_conditions_1: ionic strength: 0.05 mM; pH: 7.2; pressure: 1 atm; temperature: 277 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AvanceIII 800 MHz
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts