BMRB Entry 4222
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4222
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Title: High-Resolution Solution Structure of a Sweet Protein Single-Chain Monellin (SCM) determined by Nuclear Magnetic Resonance Spectroscopy and Dynamical Simulated Annealing Calculations PubMed: 10029527
Deposition date: 1998-08-06 Original release date: 2000-05-01
Authors: Lee, Seok-Yong; Lee, Jung-Hoon; Chang, Ho-Jin; Cho, JM; Jung, Jin-Won; Lee, Weontae
Citation: Lee, Seok-Yong; Lee, Jung-Hoon; Chang, Ho-Jin; Cho, JM; Jung, Jin-Won; Lee, Weontae. "Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations" Biochemistry 38, 2340-2346 (1999).
Assembly members:
monellin, polymer, 94 residues, Formula weight is not available
Natural source: Common Name: Serendipity Berry Taxonomy ID: 3457 Superkingdom: Eukaryota Kingdom: not available Genus/species: Dioscoreophyllum cumminsii
Experimental source: Production method: recombinant technology Host organism: Saccharomyces cerevisiae
Entity Sequences (FASTA):
monellin: GEWEIIDIGPFTQNLGKFAV
DEENKIGQYGRLTFNKVIRP
CMKKTIYENEREIKGYEYQL
YVYASDKLFRADISEDYKTR
GRKLLRFNGPVPPP
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 513 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | monellin | 1 |
Entities:
Entity 1, monellin 94 residues - Formula weight is not available
| 1 | GLY | GLU | TRP | GLU | ILE | ILE | ASP | ILE | GLY | PRO | ||||
| 2 | PHE | THR | GLN | ASN | LEU | GLY | LYS | PHE | ALA | VAL | ||||
| 3 | ASP | GLU | GLU | ASN | LYS | ILE | GLY | GLN | TYR | GLY | ||||
| 4 | ARG | LEU | THR | PHE | ASN | LYS | VAL | ILE | ARG | PRO | ||||
| 5 | CYS | MET | LYS | LYS | THR | ILE | TYR | GLU | ASN | GLU | ||||
| 6 | ARG | GLU | ILE | LYS | GLY | TYR | GLU | TYR | GLN | LEU | ||||
| 7 | TYR | VAL | TYR | ALA | SER | ASP | LYS | LEU | PHE | ARG | ||||
| 8 | ALA | ASP | ILE | SER | GLU | ASP | TYR | LYS | THR | ARG | ||||
| 9 | GLY | ARG | LYS | LEU | LEU | ARG | PHE | ASN | GLY | PRO | ||||
| 10 | VAL | PRO | PRO | PRO |
Samples:
sample_1: monellin mM
sample_cond_1: pH: 7.0; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| TOCSY | sample_1 | not available | sample_cond_1 |
| NOESY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| 1H-15N HSQC | sample_1 | not available | sample_cond_1 |
| 1H-15N HMQC-J | sample_1 | not available | sample_cond_1 |
| 1H-15N NOESY-HSQC | sample_1 | not available | sample_cond_1 |
| 1H-15N HOHAHA-HMQC | sample_1 | not available | sample_cond_1 |
Software:
No software information available
NMR spectrometers:
- Bruker DMX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts