BMRB Entry 19012
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19012
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Title: NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)
Deposition date: 2013-02-07 Original release date: 2013-03-21
Authors: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt
Citation: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)" Not known ., .-..
Assembly members:
BT_0846, polymer, 99 residues, 11242.420 Da.
Natural source: Common Name: CFB group bacteria Taxonomy ID: 818 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacteroides not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
BT_0846: GEDWTELNSNNIIGYWSTGI
EGTHKLLSFDEDGTGSFGIY
SNATPISFQMFDYKIEEGRI
YIYDVYPDEKTPYYLDCKIS
GTTLKVETGSEAGTYKKQK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 329 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 669 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hypothetical protein BT_0846 | 1 |
Entities:
Entity 1, hypothetical protein BT_0846 99 residues - 11242.420 Da.
| 1 | GLY | GLU | ASP | TRP | THR | GLU | LEU | ASN | SER | ASN | ||||
| 2 | ASN | ILE | ILE | GLY | TYR | TRP | SER | THR | GLY | ILE | ||||
| 3 | GLU | GLY | THR | HIS | LYS | LEU | LEU | SER | PHE | ASP | ||||
| 4 | GLU | ASP | GLY | THR | GLY | SER | PHE | GLY | ILE | TYR | ||||
| 5 | SER | ASN | ALA | THR | PRO | ILE | SER | PHE | GLN | MET | ||||
| 6 | PHE | ASP | TYR | LYS | ILE | GLU | GLU | GLY | ARG | ILE | ||||
| 7 | TYR | ILE | TYR | ASP | VAL | TYR | PRO | ASP | GLU | LYS | ||||
| 8 | THR | PRO | TYR | TYR | LEU | ASP | CYS | LYS | ILE | SER | ||||
| 9 | GLY | THR | THR | LEU | LYS | VAL | GLU | THR | GLY | SER | ||||
| 10 | GLU | ALA | GLY | THR | TYR | LYS | LYS | GLN | LYS |
Samples:
sample_1: BT_0846, [U-99% 13C; U-99% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.798 M; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 4D-HACANH-APSY | sample_1 | isotropic | sample_conditions_1 |
| 5D-HACACONH-APSY | sample_1 | isotropic | sample_conditions_1 |
| 5D-CBCACONH-APSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.1, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment, data analysis
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
jUNIO, Herrmann, Guntert and Wuthrich - chemical shift assignment, peak picking, structure solution
OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| EMBL | CUO58639 |
| GB | AAO75953 ALJ42023 |
| REF | NP_809759 WP_011107485 WP_055268830 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts