BMRB Entry 25236
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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/BMR25236
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Title: ssNMR structure of a designed rocker protein PubMed: 25525248
Deposition date: 2014-09-18 Original release date: 2014-12-22
Authors: Wang, Tuo; Joh, Nathan; Wu, Yibing; DeGrado, William; Hong, Mei
Citation: Joh, Nathan; Wang, Tuo; Bhate, Manasi; Acharya, Rudresh; Wu, Yibing; Grabe, Michael; Hong, Mei; Grigoryan, Gevorg; DeGrado, William. "De novo design of a transmembrane Zn(II) transporting four-helix bundle" Science 346, 1520-1524 (2014).
Assembly members:
entity_1, polymer, 26 residues, 2973.451 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: YYKEIAHALFSALXALSELY
IAVRYX
- assigned_chemical_shifts
| Data type | Count |
| 19F chemical shifts | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1_1 | 1 |
| 2 | entity_1_2 | 1 |
| 3 | entity_1_3 | 1 |
| 4 | entity_1_4 | 1 |
Entities:
Entity 1, entity_1_1 26 residues - 2973.451 Da.
| 1 | TYR | TYR | LYS | GLU | ILE | ALA | HIS | ALA | LEU | PHE | ||||
| 2 | SER | ALA | LEU | PFF | ALA | LEU | SER | GLU | LEU | TYR | ||||
| 3 | ILE | ALA | VAL | ARG | TYR | NH2 |
Samples:
sample_1: entity_1, F19 on Phe 14, 1.5 mg
sample_conditions_1: temperature: 220 K; pH: 7; pressure: 1 atm; ionic strength: 0.02 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 19F CODEX | sample_1 | solid | sample_conditions_1 |
Software:
pymol, Warren DeLano - modeling
NMR spectrometers:
- Bruker DSX 400 MHz