BMRB Entry 18468
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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/BMR18468
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Title: Solution NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT415.
Deposition date: 2012-05-16 Original release date: 2012-07-11
Authors: Ramelot, Theresa; Cort, John; Yang, Yunhuang; Garcia, Maite; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael
Citation: Ramelot, Theresa; Cort, John; Yang, Yunhuang; Garcia, Maite; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael. "Solution NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT415." Not known ., .-..
Assembly members:
PaT415, polymer, 103 residues, 12.2 Da.
Natural source: Common Name: g-proteobacteria Taxonomy ID: 297 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PaT415: MGSSHDHHHHSSGRENLYFQ
GHMPNDMEDHLLTVLSVASG
VPKEEISRDSRMEDLAFDSL
VVSELSLKLRKEFGVTGVDD
ELDLLETVDELFQLVEKHRA
AGS
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 370 |
| 15N chemical shifts | 76 |
| 1H chemical shifts | 596 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PaT415 | 1 |
Entities:
Entity 1, PaT415 103 residues - 12.2 Da.
| 1 | MET | GLY | SER | SER | HIS | ASP | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | ARG | GLU | ASN | LEU | TYR | PHE | GLN | ||||
| 3 | GLY | HIS | MET | PRO | ASN | ASP | MET | GLU | ASP | HIS | ||||
| 4 | LEU | LEU | THR | VAL | LEU | SER | VAL | ALA | SER | GLY | ||||
| 5 | VAL | PRO | LYS | GLU | GLU | ILE | SER | ARG | ASP | SER | ||||
| 6 | ARG | MET | GLU | ASP | LEU | ALA | PHE | ASP | SER | LEU | ||||
| 7 | VAL | VAL | SER | GLU | LEU | SER | LEU | LYS | LEU | ARG | ||||
| 8 | LYS | GLU | PHE | GLY | VAL | THR | GLY | VAL | ASP | ASP | ||||
| 9 | GLU | LEU | ASP | LEU | LEU | GLU | THR | VAL | ASP | GLU | ||||
| 10 | LEU | PHE | GLN | LEU | VAL | GLU | LYS | HIS | ARG | ALA | ||||
| 11 | ALA | GLY | SER |
Samples:
sample_1: PaT415, [U-100% 13C; U-100% 15N], 1.0 mM; TRIS 10 mM; sodium chloride 450 mM; DTT 10 mM; zinc chloride 0.01 mM; sodium azide 0.01%; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 250 mM; pH: 7.7; 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 | anisotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 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 |
| 4D 1H-13C-13C-1H NOESY in D2O | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY in D2O | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
FMCGUI v2.5 linux, (FMCGUI) Alex Lemak - refinement
SPARKY v3.113, Goddard - peak picking
TALOS+ vVersion 1.2009.0721.18, Shen, Cornilescu, Delaglio and Bax - predict dihedral angles
MDDGUI vJune2009, Alex Lemak, University of Toronto - processing
NMRPipe vNMRPipe-2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AvanceIII 850 MHz
- Bruker AvanceIII 600 MHz
- Varian INOVA 800 MHz
- Varian INOVA 600 MHz
- Varian INOVA 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts