BMRB Entry 30414
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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/BMR30414
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Title: Lactam cyclised mimetic of a fragment of p21 PubMed: 29917264
Deposition date: 2018-02-25 Original release date: 2018-06-25
Authors: Wegener, K.
Citation: Wegener, K.; McGrath, A.; Dixon, N.; Oakley, A.; Scanlon, D.; Abell, A.; Bruning, J.. "Rational design of a 310-helical PIP-box mimetic targeting PCNA - the human sliding clamp" Chemistry 24, 11325-11331 (2018).
Assembly members:
entity_1, polymer, 14 residues, 1801.061 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GRKRRQXSMTEFYH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 91 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 14 residues - 1801.061 Da.
| 1 | GLY | ARG | LYS | ARG | ARG | GLN | DAB | SER | MET | THR | ||||
| 2 | GLU | PHE | TYR | HIS |
Samples:
sample_1: ACR2 1.3 ± 0.05 mM; DSS 0.1 ± 0.005 mM
sample_conditions_1: ionic strength: 0 M; pH: 5.95; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation
Analysis, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Varian INOVA 600 MHz