BMRB Entry 30244
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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/BMR30244
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Title: Heterogeneous-backbone Foldamer Mimic of the Sp1-3 Zinc Finger PubMed: 28509549
Deposition date: 2017-02-13 Original release date: 2017-05-25
Authors: George, K.; Horne, W.
Citation: George, K.; Horne, W.. "Heterogeneous-Backbone Foldamer Mimics of Zinc Finger Tertiary Structure" J. Am. Chem. Soc. 139, 7931-7938 (2017).
Assembly members:
entity_1, polymer, 29 residues, 3484.174 Da.
entity_ZN, non-polymer, 65.409 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: KYXCPECPKXFXRSXHLSXH
IXTHXNKKX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 213 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 29 residues - 3484.174 Da.
| 1 | LYS | TYR | MAA | CYS | PRO | GLU | CYS | PRO | LYS | MMO | ||||
| 2 | PHE | NLE | ARG | SER | B3D | HIS | LEU | SER | B3K | HIS | ||||
| 3 | ILE | B3K | THR | HIS | B3Q | ASN | LYS | LYS | NH2 |
Entity 2, entity_2 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: DSS 0.2 mM; peptide 1.25 mM; zinc chloride 1.5 mM
sample_conditions_1: ionic strength: 5 mM; pH: 7.0; pressure: 1 atm; temperature: 277 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
SPARKY, Goddard - data analysis
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 700 MHz