BMRB Entry 19539
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19539
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Title: 1H, 13C, 15N chemical shifts assignments of streptomyces virginiae VirA acp5b
Deposition date: 2013-10-07 Original release date: 2014-06-02
Authors: Davison, Jack; Dorival, Jonathan; Rabeharindranto, M; Mazon, Hortense; Chagot, Benjamin; Gruez, Arnaud; Weissman, Kira
Citation: Davison, Jack; Dorival, Jonathan; Rabeharindranto, M; Mazon, Hortense; Chagot, Benjamin; Gruez, Arnaud; Weissman, Kira. "1H, 13C, 15N chemical shifts assignments of streptomyces virginiae VirA acp5b" Not known ., .-..
Assembly members:
acp5b, polymer, 88 residues, Formula weight is not available
Natural source: Common Name: Streptomyces virginiae Taxonomy ID: 1961 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces virginiae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
acp5b: GPGSAVAVDPAPVARALREE
LARTLYCEPGDIDDEASFNT
LGLDSILGVEFVAFVNQTYG
LDEKAGILYDHPSLAALSRH
VAGRAAPV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 357 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 591 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | acp5b | 1 |
Entities:
Entity 1, acp5b 88 residues - Formula weight is not available
| 1 | GLY | PRO | GLY | SER | ALA | VAL | ALA | VAL | ASP | PRO | ||||
| 2 | ALA | PRO | VAL | ALA | ARG | ALA | LEU | ARG | GLU | GLU | ||||
| 3 | LEU | ALA | ARG | THR | LEU | TYR | CYS | GLU | PRO | GLY | ||||
| 4 | ASP | ILE | ASP | ASP | GLU | ALA | SER | PHE | ASN | THR | ||||
| 5 | LEU | GLY | LEU | ASP | SER | ILE | LEU | GLY | VAL | GLU | ||||
| 6 | PHE | VAL | ALA | PHE | VAL | ASN | GLN | THR | TYR | GLY | ||||
| 7 | LEU | ASP | GLU | LYS | ALA | GLY | ILE | LEU | TYR | ASP | ||||
| 8 | HIS | PRO | SER | LEU | ALA | ALA | LEU | SER | ARG | HIS | ||||
| 9 | VAL | ALA | GLY | ARG | ALA | ALA | PRO | VAL |
Samples:
sample_1: acp5b, [U-99% 13C; U-99% 15N], 1 mM; EDTA 1 mM; sodium phosphate 100 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 M; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, Goddard - data analysis
TOPSPIN, Bruker Biospin - collection
TALOS+, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker AMX 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts