BMRB Entry 34470
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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/BMR34470
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Title: Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain
Deposition date: 2019-12-23 Original release date: 2021-01-06
Authors: Guardiola, S.; Varese, M.; Garcia, J.; Giralt, E.
Citation: Guardiola, S.; Varese, M.; Garcia, J.; Giralt, E.. "Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain" .
Assembly members:
entity_1, polymer, 8 residues, 1030.133 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: WXVXEAXD
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 34 |
1H chemical shifts | 56 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 8 residues - 1030.133 Da.
1 | TRP | DTR | VAL | DPR | GLU | ALA | DLY | ASP |
Samples:
sample_1: potassium phosphate 25 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 125 mM; pH: 6.4; pressure: 1 atm; temperature: 278 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-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
NMR spectrometers:
- Bruker AVANCE 800 MHz