BMRB Entry 6529
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6529
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: Tengel, Tobias; Alcocer, Marcos; Schleucher, Jurgen; Larsson, Goran. "Complete Assignment and Secondary Structure of the Brazil Nut Allergen Ber e 1" J. Biomol. NMR 32, 336-336 (2005).
Assembly members:
2S sulfur-rich seed storage protein from Brazil nut, polymer, 114 residues, 136000 Da.
Natural source: Common Name: Brazil nut Taxonomy ID: 3645 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Bertholletia excelsa
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
2S sulfur-rich seed storage protein from Brazil nut: EAEAQEECREQMQRQQMLSH
CRMYMRQQMEESTYQTMPRR
GMEPHMSECCEQLEGMDESC
RCEGLRMMMRMMQQKEMQPR
GEQMRRMMRLAENIPSRCNL
SPMRCPMGGSIAGF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 464 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 784 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Ber e 1 | 1 |
Entities:
Entity 1, Ber e 1 114 residues - 136000 Da.
| 1 | GLU | ALA | GLU | ALA | GLN | GLU | GLU | CYS | ARG | GLU | ||||
| 2 | GLN | MET | GLN | ARG | GLN | GLN | MET | LEU | SER | HIS | ||||
| 3 | CYS | ARG | MET | TYR | MET | ARG | GLN | GLN | MET | GLU | ||||
| 4 | GLU | SER | THR | TYR | GLN | THR | MET | PRO | ARG | ARG | ||||
| 5 | GLY | MET | GLU | PRO | HIS | MET | SER | GLU | CYS | CYS | ||||
| 6 | GLU | GLN | LEU | GLU | GLY | MET | ASP | GLU | SER | CYS | ||||
| 7 | ARG | CYS | GLU | GLY | LEU | ARG | MET | MET | MET | ARG | ||||
| 8 | MET | MET | GLN | GLN | LYS | GLU | MET | GLN | PRO | ARG | ||||
| 9 | GLY | GLU | GLN | MET | ARG | ARG | MET | MET | ARG | LEU | ||||
| 10 | ALA | GLU | ASN | ILE | PRO | SER | ARG | CYS | ASN | LEU | ||||
| 11 | SER | PRO | MET | ARG | CYS | PRO | MET | GLY | GLY | SER | ||||
| 12 | ILE | ALA | GLY | PHE |
Samples:
sample_1: 2S sulfur-rich seed storage protein from Brazil nut, [U-13C; U-15N], 1 mM; Sodium phosphate buffer 20 mM; Sodium azide 1 mM; H2O 10%; D2O 90%
sample_2: 2S sulfur-rich seed storage protein from Brazil nut, [U-13C; U-15N], 1 mM; Sodium phosphate buffer 20 mM; Sodium azide 1 mM; D2O 100%
sample_3: 2S sulfur-rich seed storage protein from Brazil nut, [U-15N], 1 mM; Sodium phosphate buffer 20 mM; Sodium azide 1 mM; H2O 10%; D2O 90%
conditions_1: pH: 5.8; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 13C-NOESY | not available | isotropic | not available |
| 15N-NOESY | not available | isotropic | not available |
| CBCACONH | not available | isotropic | not available |
| CBCANH | not available | isotropic | not available |
| HACANH | not available | isotropic | not available |
| HBHACONH | not available | isotropic | not available |
| hCCCONH | not available | not available | not available |
| HNCO | not available | isotropic | not available |
| HccCONH | not available | not available | not available |
| HNHA | not available | isotropic | not available |
| LRCH | not available | isotropic | not available |
Software:
NMRDraw v2.2, . -
NMR spectrometers:
- Bruker DRX (cryo probe) 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks