BMRB Entry 4638
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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/BMR4638
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Spadaccini, R.; Crescenzi, O.; tancredi, T.; De casamassimi, N.; saviano, G.; scognamiglio, R.; Di Donato, A.; Temussi, P.. "Solution structure of a sweet protein: NMR study of MNEI, a single chain
monellin" J. Mol. Biol. 305, 505-514 (2001).
PubMed: 11152608
Assembly members:
MNEI SWEET PROTEIN RELATED TO MONELLIN, polymer, 96 residues, Formula weight is not available
Natural source: Common Name: serendipity berry Taxonomy ID: 3457 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Discoreophyllum cuminsii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET-22B+
Entity Sequences (FASTA):
MNEI SWEET PROTEIN RELATED TO MONELLIN: GEWEIIDIGPFTQNLGKFAV
DEENKIGQYGRLTFNKVIRP
CMKKTIYENEGFREIKGYEY
QLYVYASDKLFRADISEDYK
TRGRKLLRFNGPVPPP
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 15N chemical shifts | 102 |
| 1H chemical shifts | 604 |
| coupling constants | 114 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MNEI | 1 |
Entities:
Entity 1, MNEI 96 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 | GLY | PHE | ARG | GLU | ILE | LYS | GLY | TYR | GLU | TYR | ||||
| 7 | GLN | LEU | TYR | VAL | TYR | ALA | SER | ASP | LYS | LEU | ||||
| 8 | PHE | ARG | ALA | ASP | ILE | SER | GLU | ASP | TYR | LYS | ||||
| 9 | THR | ARG | GLY | ARG | LYS | LEU | LEU | ARG | PHE | ASN | ||||
| 10 | GLY | PRO | VAL | PRO | PRO | PRO |
Samples:
sample_1: MNEI SWEET PROTEIN RELATED TO MONELLIN, [U-15N], 2 mM; phosphate buffer K 18.5 mM; H2O 90%; D2O 10%
sample_2: MNEI SWEET PROTEIN RELATED TO MONELLIN 2 mM; phosphate buffer K 18.5 mM; H2O 90%; D2O 10%
sample_3: MNEI SWEET PROTEIN RELATED TO MONELLIN 2 mM; phosphate buffer K 18.5 mM; D2O 100%
sample_cond_1: ionic strength: 18.5 mM; pH: 2.9; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | not available | not available | sample_cond_1 |
| HNHA | not available | not available | sample_cond_1 |
| HSQC | not available | not available | sample_cond_1 |
| HNHB | not available | not available | sample_cond_1 |
| E-COSY | not available | not available | sample_cond_1 |
| 2D NOESY | not available | not available | sample_cond_1 |
Software:
NMRPipe v1.7 - processing
DYANA v1.5 - structure solution
AMBER v5.0 - refinement
NMR spectrometers:
- Bruker DRX 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks