BMRB Entry 19536
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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/BMR19536
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Title: 1H, 13C, 15N chemical shift assignments of Streptomyces virginiae VirA acp5a
Deposition date: 2013-10-05 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. "NMR assignements of ACP5a" Not known ., .-..
Assembly members:
entity, polymer, 85 residues, 8883.024 Da.
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):
entity: GPGSAGRQEEIAEEVARLLA
GVLYLEPDRLDPEETFLTLG
VDSILGVEFVAAVNAAYPVG
VKATALYDHPTPAAFARHIA
ESLGA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 364 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 587 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | acp5a | 1 |
Entities:
Entity 1, acp5a 85 residues - 8883.024 Da.
| 1 | GLY | PRO | GLY | SER | ALA | GLY | ARG | GLN | GLU | GLU | ||||
| 2 | ILE | ALA | GLU | GLU | VAL | ALA | ARG | LEU | LEU | ALA | ||||
| 3 | GLY | VAL | LEU | TYR | LEU | GLU | PRO | ASP | ARG | LEU | ||||
| 4 | ASP | PRO | GLU | GLU | THR | PHE | LEU | THR | LEU | GLY | ||||
| 5 | VAL | ASP | SER | ILE | LEU | GLY | VAL | GLU | PHE | VAL | ||||
| 6 | ALA | ALA | VAL | ASN | ALA | ALA | TYR | PRO | VAL | GLY | ||||
| 7 | VAL | LYS | ALA | THR | ALA | LEU | TYR | ASP | HIS | PRO | ||||
| 8 | THR | PRO | ALA | ALA | PHE | ALA | ARG | HIS | ILE | ALA | ||||
| 9 | GLU | SER | LEU | GLY | ALA |
Samples:
sample_1: sodium phosphate 100 mM; EDTA 1 mM; acp5a, [U-99% 13C; U-99% 15N], 1 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 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | 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 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER v11, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, Goddard - data analysis
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker AMX 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
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