BMRB Entry 34380
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34380
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Title: Structure of peptide P7, which binds Cdc42 and inhibits effector interactions. PubMed: 31959628
Deposition date: 2019-03-15 Original release date: 2020-01-24
Authors: Murphy, N.; Mott, H.; Owen, D.
Citation: Tetley, G.; Murphy, N.; Bonetto, S.; Ivanova, G.; Revell, J.; Mott, H.; Cooley, R.; Owen, D.. "The discovery and maturation of peptide biologics targeting the small G protein Cdc42: a bioblockade for Ras-driven signalling" J.Biol.Chem. ., .-. (2020).
Assembly members:
entity_1, polymer, 16 residues, 2070.401 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: PSIXHVHRPDWPCWYR
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 112 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 16 residues - 2070.401 Da.
| 1 | PRO | SER | ILE | HCS | HIS | VAL | HIS | ARG | PRO | ASP | ||||
| 2 | TRP | PRO | CYS | TRP | TYR | ARG |
Samples:
sample_1: peptide 5 mg/mL; sodium phosphate 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| TOCSY | sample_1 | isotropic | sample_conditions_1 |
| COSY | sample_1 | isotropic | sample_conditions_1 |
| NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2, CCPN - chemical shift assignment
ARIA v1.2, Linge, O'Donoghue and Nilges - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE III 800 MHz