BMRB Entry 26634
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26634
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Title: Backbone and sidechain 1H, 13C, and 15N resonance assignments for Methylobacterium extorquens PqqD PubMed: 27638737
Deposition date: 2015-08-13 Original release date: 2016-10-04
Authors: Evans, Robert; Xia, Youlin; Latham, John; Barr, Robert; Klinman, Judith; Wilmot, Carrie
Citation: Evans, Robert; Xia, Youlin; Latham, John; Barr, Robert; Klinman, Judith; Wilmot, Carrie. "(1)H, (13)C, and (15)N resonance assignments and secondary structure information for Methylobacterium extorquens PqqD and the complex of PqqD with PqqA" Biomol. NMR Assign. 10, 385-389 (2016).
Assembly members:
PqqD, polymer, 94 residues, Formula weight is not available
Natural source: Common Name: a-proteobacteria Taxonomy ID: 408 Superkingdom: Bacteria Kingdom: not available Genus/species: Methylobacterium extorquens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PqqD: MEPTAFSGSDVPRLPRGVRL
RFDEVRNKHVLLAPERTFDL
DDNAVAVLKLVDGRNTVSQI
AQILGQTYDADPAIIEADIL
PMLAGLAQKRVLER
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 405 |
| 15N chemical shifts | 87 |
| 1H chemical shifts | 647 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PqqD | 1 |
Entities:
Entity 1, PqqD 94 residues - Formula weight is not available
| 1 | MET | GLU | PRO | THR | ALA | PHE | SER | GLY | SER | ASP | ||||
| 2 | VAL | PRO | ARG | LEU | PRO | ARG | GLY | VAL | ARG | LEU | ||||
| 3 | ARG | PHE | ASP | GLU | VAL | ARG | ASN | LYS | HIS | VAL | ||||
| 4 | LEU | LEU | ALA | PRO | GLU | ARG | THR | PHE | ASP | LEU | ||||
| 5 | ASP | ASP | ASN | ALA | VAL | ALA | VAL | LEU | LYS | LEU | ||||
| 6 | VAL | ASP | GLY | ARG | ASN | THR | VAL | SER | GLN | ILE | ||||
| 7 | ALA | GLN | ILE | LEU | GLY | GLN | THR | TYR | ASP | ALA | ||||
| 8 | ASP | PRO | ALA | ILE | ILE | GLU | ALA | ASP | ILE | LEU | ||||
| 9 | PRO | MET | LEU | ALA | GLY | LEU | ALA | GLN | LYS | ARG | ||||
| 10 | VAL | LEU | GLU | ARG |
Samples:
sample_1: PqqD, [U-100% 13C; U-100% 15N], 0.4 mM; D2O, [U-100% 2H], 10%; H2O 90%; Potassium phosphate 0.1 mM; Sodium azide 1 mM
sample_conditions_1: ionic strength: 0.1 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D plane of 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDHD | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCEHE | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D plane of HCCH-TOCSY for aromatic ring | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
CSI v2.0, Wishart - data analysis
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 850 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts