BMRB Entry 6553
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6553
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Title: Specific non-native hydrophobic interactions in a hidden folding intermediate: implication for protein folding PubMed: 14580191
Deposition date: 2005-03-18 Original release date: 2005-08-30
Authors: Feng, H.; Takei, T.; Lipsitz, R.; Tjandra, N.; Bai, Y.
Citation: Feng, H.; Takei, J.; Lipsitz, R.; Tjandra, N.; Bai, Y.. "Specific non-native hydrophobic interactions in a hidden folding intermediate: implications for protein folding" Biochemistry 42, 12461-12465 (2003).
Assembly members:
redesigned apo-cytochrome b562, polymer, 106 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homon sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
redesigned apo-cytochrome b562: ADLEDNDETGNDNGKGGEKA
DNAAQVKDALTKMRAAALDA
QKATPPKLEDKSPDSPEMKD
FRHGFDILVGQIDDALKLAN
EGKVKEAQAAAEQLKTTIRA
YNQKYG
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 315 |
| 15N chemical shifts | 113 |
| 1H chemical shifts | 672 |
| coupling constants | 76 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Redesigned apo-cytochrome b562 | 1 |
Entities:
Entity 1, Redesigned apo-cytochrome b562 106 residues - Formula weight is not available
| 1 | ALA | ASP | LEU | GLU | ASP | ASN | ASP | GLU | THR | GLY | ||||
| 2 | ASN | ASP | ASN | GLY | LYS | GLY | GLY | GLU | LYS | ALA | ||||
| 3 | ASP | ASN | ALA | ALA | GLN | VAL | LYS | ASP | ALA | LEU | ||||
| 4 | THR | LYS | MET | ARG | ALA | ALA | ALA | LEU | ASP | ALA | ||||
| 5 | GLN | LYS | ALA | THR | PRO | PRO | LYS | LEU | GLU | ASP | ||||
| 6 | LYS | SER | PRO | ASP | SER | PRO | GLU | MET | LYS | ASP | ||||
| 7 | PHE | ARG | HIS | GLY | PHE | ASP | ILE | LEU | VAL | GLY | ||||
| 8 | GLN | ILE | ASP | ASP | ALA | LEU | LYS | LEU | ALA | ASN | ||||
| 9 | GLU | GLY | LYS | VAL | LYS | GLU | ALA | GLN | ALA | ALA | ||||
| 10 | ALA | GLU | GLN | LEU | LYS | THR | THR | ILE | ARG | ALA | ||||
| 11 | TYR | ASN | GLN | LYS | TYR | GLY |
Samples:
sample_1: redesigned apo-cytochrome b562 mM; sodium acetate mM; H2O 92.5%; D2O 7.5%
sample_2: redesigned apo-cytochrome b562 mM; D2O 99%
sample_cond_1: pH: 4.84; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D HSQC | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| 3D 13C-separated NOESY | not available | not available | not available |
| HNHA | not available | not available | not available |
| 3D HNCACB | not available | not available | not available |
| 3D CBCACONH | not available | not available | not available |
| D HAHBCONH | not available | not available | not available |
| 3D HNCO | not available | not available | not available |
| 2D NOESY | not available | not available | not available |
| 2D residual dipolar expts | not available | not available | not available |
Software:
X-PLOR vXPLOR-NIH-2.9 - refinement, structure solution
NMRPipe v5.0.4 - processing
NMR spectrometers:
- Bruker DRX 750 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts