BMRB Entry 25732
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25732
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Title: Solution structure of the cyanobacterial cytochrome b6f complex subunit PetP PubMed: 27033306
Deposition date: 2015-07-29 Original release date: 2016-04-12
Authors: Veit, Sebastian; Ikegami, Takahisa; Roegner, Matthias
Citation: Veit, Sebastian; Nagadoi, Aritaka; Rogner, Matthias; Rexroth, Sascha; Stoll, Raphael; Ikegami, Takahisa. "The cyanobacterial cytochrome b6f subunit PetP adopts an SH3 fold in solution" Biochim. Biophys. Acta 1857, 705-714 (2016).
Assembly members:
PetP, polymer, 79 residues, 8916.176 Da.
Natural source: Common Name: Thermosynechococcus elongatus BP-1 Taxonomy ID: 197221 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermosynechococcus Thermosynechococcus elongatus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PetP: MASWSHPQFEKIEGRMDVGQ
KVRVCRIRDRVAQDIIQKLG
QVGQITGFKMTDGSGVGVIV
TFDDRSSTWFFEDEVEVVG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 347 |
| 15N chemical shifts | 83 |
| 1H chemical shifts | 543 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PetP | 1 |
Entities:
Entity 1, PetP 79 residues - 8916.176 Da.
| 1 | MET | ALA | SER | TRP | SER | HIS | PRO | GLN | PHE | GLU | ||||
| 2 | LYS | ILE | GLU | GLY | ARG | MET | ASP | VAL | GLY | GLN | ||||
| 3 | LYS | VAL | ARG | VAL | CYS | ARG | ILE | ARG | ASP | ARG | ||||
| 4 | VAL | ALA | GLN | ASP | ILE | ILE | GLN | LYS | LEU | GLY | ||||
| 5 | GLN | VAL | GLY | GLN | ILE | THR | GLY | PHE | LYS | MET | ||||
| 6 | THR | ASP | GLY | SER | GLY | VAL | GLY | VAL | ILE | VAL | ||||
| 7 | THR | PHE | ASP | ASP | ARG | SER | SER | THR | TRP | PHE | ||||
| 8 | PHE | GLU | ASP | GLU | VAL | GLU | VAL | VAL | GLY |
Samples:
sample_buffer: PetP, [U-13C; U-15N], 0.1 – 0.5 mM; sodium phosphate 20 mM; DTT, [U-2H], 10 mM; H2O 90%; D2O, [U-2H], 10%
sample_condition: ionic strength: 0 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY aliphatic | sample_buffer | isotropic | sample_condition |
| 3D 1H-13C NOESY aromatic | sample_buffer | isotropic | sample_condition |
| 3D 1H-15N NOESY | sample_buffer | isotropic | sample_condition |
| 2D 1H-15N HSQC | sample_buffer | isotropic | sample_condition |
| 2D 1H-13C HSQC aliphatic | sample_buffer | isotropic | sample_condition |
| 2D 1H-13C HSQC aromatic | sample_buffer | isotropic | sample_condition |
| 2D 1H-13C HSQC aliphatic | sample_buffer | isotropic | sample_condition |
| 2D 1H-13C HSQC aromatic | sample_buffer | isotropic | sample_condition |
| 2D 1H-1H NOESY | sample_buffer | isotropic | sample_condition |
| 3D CBCA(CO)NH | sample_buffer | isotropic | sample_condition |
| 3D C(CO)NH | sample_buffer | isotropic | sample_condition |
| 3D HNCO | sample_buffer | isotropic | sample_condition |
| 3D HNCA | sample_buffer | isotropic | sample_condition |
| 3D HNCACB | sample_buffer | isotropic | sample_condition |
| 3D HBHA(CO)NH | sample_buffer | isotropic | sample_condition |
| 3D HN(CA)CO | sample_buffer | isotropic | sample_condition |
| 3D H(CCO)NH | sample_buffer | isotropic | sample_condition |
| 3D HCCH-TOCSY | sample_buffer | isotropic | sample_condition |
| 3D HCCH-COSY | sample_buffer | isotropic | sample_condition |
Software:
SPARKY, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
XPLOR, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 950 MHz
- Bruker Avance 800 MHz
- Bruker DRX-600 600 MHz
- Bruker DRX-400 400 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts