BMRB Entry 51800
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51800
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Title: 1H, 13C and 15N backbone and sidechain assignment of the Burkholderia mallei acyl carrier protein PubMed: 37233945
Deposition date: 2023-01-24 Original release date: 2023-06-19
Authors: Matosin, Srdan; Fischer, Patrick; Droemer, Maxim; Arthanari, Haribabu; Nagarajan, Rajesh
Citation: Matosin, Srdan; Fischer, Patrick; Droemer, Maxim; Baggs, Eric; Chowdhury, Abu Sayeed; Tavares, Isidoro; Ficarro, Scott; Warner, Lisa Rose; Arthanari, Haribabu; Nagarajan, Rajesh. "1H, 13C and 15N backbone and sidechain assignment of the Burkholderia mallei acyl carrier protein" Biomol. NMR Assign. 17, 167-171 (2023).
Assembly members:
entity_1, polymer, 79 residues, Formula weight is not available
entity_PNS, non-polymer, 358.348 Da.
Natural source: Common Name: burkholderia mallei Taxonomy ID: 13373 Superkingdom: Bacteria Kingdom: not available Genus/species: burkholderia mallei
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet28
Entity Sequences (FASTA):
entity_1: MDNIEQRVKKIVAEQLGVAE
AEIKNEASFVNDLGADSLDT
VELVMALEDEFGMEIPDEEA
EKITTVQQAIDYARANVKA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 316 |
| 15N chemical shifts | 78 |
| 1H chemical shifts | 501 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ACP | 1 |
| 2 | phosphopantetheine | 2 |
Entities:
Entity 1, ACP 79 residues - Formula weight is not available
| 1 | MET | ASP | ASN | ILE | GLU | GLN | ARG | VAL | LYS | LYS | ||||
| 2 | ILE | VAL | ALA | GLU | GLN | LEU | GLY | VAL | ALA | GLU | ||||
| 3 | ALA | GLU | ILE | LYS | ASN | GLU | ALA | SER | PHE | VAL | ||||
| 4 | ASN | ASP | LEU | GLY | ALA | ASP | SER | LEU | ASP | THR | ||||
| 5 | VAL | GLU | LEU | VAL | MET | ALA | LEU | GLU | ASP | GLU | ||||
| 6 | PHE | GLY | MET | GLU | ILE | PRO | ASP | GLU | GLU | ALA | ||||
| 7 | GLU | LYS | ILE | THR | THR | VAL | GLN | GLN | ALA | ILE | ||||
| 8 | ASP | TYR | ALA | ARG | ALA | ASN | VAL | LYS | ALA |
Entity 2, phosphopantetheine - C11 H23 N2 O7 P S - 358.348 Da.
| 1 | PNS |
Samples:
sample_1: holoACPbm, [U-99% 13C; U-99% 15N], 1 mM; MES 50 mM; MgCl2 10 mM; TCEP-HCl 1 mM
sample_conditions_1: ionic strength: 25 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v2.5 - data analysis
NMR spectrometers:
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts