BMRB Entry 19431
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19431
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Title: NMR structure of hypothetical protein RUMGNA_01855 from Ruminococcus gnavus ATCC 29149
Deposition date: 2013-08-21 Original release date: 2013-10-21
Authors: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt
Citation: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of a hypothetical protein RUMGNA_01855 from Ruminococcus gnavus ATCC 29149" Not known ., .-..
Assembly members:
entity, polymer, 114 residues, 13280.990 Da.
Natural source: Common Name: Ruminococcus gnavus ATCC 29149 Taxonomy ID: 411470 Superkingdom: Bacteria Kingdom: not available Genus/species: Blautia Ruminococcus gnavus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GEILKELPEGFDKETVRKQA
MEDIEIAQSKDYESWKSRFT
KDLQSSLTEESYDSYLKILE
KQGEFKEFGKCTYLGQIKDN
KKYGGVIIVVKYEEGNVNYS
LAYDEDMNLVSFTM
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 801 |
| 13C chemical shifts | 398 |
| 15N chemical shifts | 121 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hypothetical protein | 1 |
Entities:
Entity 1, hypothetical protein 114 residues - 13280.990 Da.
| 1 | GLY | GLU | ILE | LEU | LYS | GLU | LEU | PRO | GLU | GLY | ||||
| 2 | PHE | ASP | LYS | GLU | THR | VAL | ARG | LYS | GLN | ALA | ||||
| 3 | MET | GLU | ASP | ILE | GLU | ILE | ALA | GLN | SER | LYS | ||||
| 4 | ASP | TYR | GLU | SER | TRP | LYS | SER | ARG | PHE | THR | ||||
| 5 | LYS | ASP | LEU | GLN | SER | SER | LEU | THR | GLU | GLU | ||||
| 6 | SER | TYR | ASP | SER | TYR | LEU | LYS | ILE | LEU | GLU | ||||
| 7 | LYS | GLN | GLY | GLU | PHE | LYS | GLU | PHE | GLY | LYS | ||||
| 8 | CYS | THR | TYR | LEU | GLY | GLN | ILE | LYS | ASP | ASN | ||||
| 9 | LYS | LYS | TYR | GLY | GLY | VAL | ILE | ILE | VAL | VAL | ||||
| 10 | LYS | TYR | GLU | GLU | GLY | ASN | VAL | ASN | TYR | SER | ||||
| 11 | LEU | ALA | TYR | ASP | GLU | ASP | MET | ASN | LEU | VAL | ||||
| 12 | SER | PHE | THR | MET |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 5 mM; D2O, [U-99% 2H], 95%; H2O 5%
sample_conditions_1: temperature: 298 K; pH: 6.0; pressure: 1 atm; ionic strength: 0.0798 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 4D APSY HACANH | sample_1 | isotropic | sample_conditions_1 |
| 5D APSY HACACONH | sample_1 | isotropic | sample_conditions_1 |
| 5D APSY CBCACONH | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
j-UNIO, Herrmann, Guntert and Wuthrich - peak picking, structure solution, chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CARA, Keller and Wuthrich - chemical shift assignment, data analysis
TOPSPIN v3.1, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| EMBL | CCZ66509 CUO03677 |
| GB | EDN77700 EGN48378 ETD20298 |
| REF | WP_004842842 WP_022038064 WP_055168981 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts