BMRB Entry 6455
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6455
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Title: 1H, 13C, and 15N Chemical shift Assignments for crambin in acetone-water (3:1) mixed solvent PubMed: 16569017
Deposition date: 2005-01-11 Original release date: 2006-06-26
Authors: Ahn, Hee-Chul; Juranic, Nenad; Markley, John
Citation: Ahn, Hee-Chul; Juranic, Nenad; Macura, Slobodan; Markley, John. "Three-dimensional structure of the water-insoluble protein crambin in dodecylphosphocholine micelles and its minimal solvent-exposed surface" J. Am. Chem. Soc. 128, 4398-4404 (2006).
Assembly members:
crambin, polymer, 46 residues, Formula weight is not available
Natural source: Common Name: Abyssinian crambe Taxonomy ID: 3721 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Crambe abyssinica
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
crambin: TTCCPSIVARSNFNVCRLPG
TPEALCATYTGCIIIPGATC
PGDYAN
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 168 |
| 15N chemical shifts | 43 |
| 1H chemical shifts | 272 |
| coupling constants | 19 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | crambin | 1 |
Entities:
Entity 1, crambin 46 residues - Formula weight is not available
| 1 | THR | THR | CYS | CYS | PRO | SER | ILE | VAL | ALA | ARG | ||||
| 2 | SER | ASN | PHE | ASN | VAL | CYS | ARG | LEU | PRO | GLY | ||||
| 3 | THR | PRO | GLU | ALA | LEU | CYS | ALA | THR | TYR | THR | ||||
| 4 | GLY | CYS | ILE | ILE | ILE | PRO | GLY | ALA | THR | CYS | ||||
| 5 | PRO | GLY | ASP | TYR | ALA | ASN |
Samples:
sample_1: crambin, [U-13C; U-15N], 0.5 mM
conditions_1: temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNCA | sample_1 | not available | conditions_1 |
| HNCACB | sample_1 | not available | conditions_1 |
| CBCA(CO)NH | sample_1 | not available | conditions_1 |
| HCCH-TOCSY | sample_1 | not available | conditions_1 |
| C(CO)NH | sample_1 | not available | conditions_1 |
| HNCO | sample_1 | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Varian Inova 600 MHz
- Varian Inova 800 MHz
Download simulated HSQC data in one of the following formats:
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