BMRB Entry 51478
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51478
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Title: Relaxation peaklist data of TcART PubMed: 35858890
Deposition date: 2022-05-30 Original release date: 2022-06-22
Authors: Lindemann, Florian; Schmieder, Peter; Oschkinat, Hartmut
Citation: Belyy, Alexander; Lindemann, Florian; Roderer, Daniel; Funk, Johanna; Bardiaux, Benjamin; Protze, Jonas; Bieling, Peter; Oschkinat, Hartmut; Raunser, Stefan. "Mechanism of threonine ADP-ribosylation of F-actin by a Tc toxin" Nat. Commun. 13, 4202-4202 (2022).
Assembly members:
TcART, polymer, 194 residues, 21703.8062 Da.
Natural source: Common Name: Photorhabdus luminescens Taxonomy ID: 29488 Superkingdom: Bacteria Kingdom: not available Genus/species: Photorhabdus luminescens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pB137
Entity Sequences (FASTA):
TcART: MSTTSTNLQKKSFTLYRADN
RSFEEMQSKFPEGFKAWTPL
DTKMARQFASIFIGQKDTSN
LPKETVKNISTWGAKPKLKD
LSNYIKYTKDKSTVWVSTAI
NTEAGGQSSGAPLHKIDMDL
YEFAIDGQKLNPLPEGRTKN
MVPSLLLDTPQIETSSIIAL
NHGPVNDAEISFLTTIPLKN
VKPHKRGTLEVLFQ
- assigned_chemical_shifts
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2
- spectral_peak_list_3
- spectral_peak_list_4
- spectral_peak_list_5
- spectral_peak_list_6
- spectral_peak_list_7
- spectral_peak_list_8
- spectral_peak_list_9
- spectral_peak_list_10
- spectral_peak_list_11
- spectral_peak_list_12
- spectral_peak_list_13
- spectral_peak_list_14
- spectral_peak_list_15
- spectral_peak_list_16
| Data type | Count |
| 15N chemical shifts | 174 |
| 1H chemical shifts | 174 |
| T1 relaxation values | 118 |
| T2 relaxation values | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TccC3 | 1 |
Entities:
Entity 1, TccC3 194 residues - 21703.8062 Da.
| 1 | MET | SER | THR | THR | SER | THR | ASN | LEU | GLN | LYS | ||||
| 2 | LYS | SER | PHE | THR | LEU | TYR | ARG | ALA | ASP | ASN | ||||
| 3 | ARG | SER | PHE | GLU | GLU | MET | GLN | SER | LYS | PHE | ||||
| 4 | PRO | GLU | GLY | PHE | LYS | ALA | TRP | THR | PRO | LEU | ||||
| 5 | ASP | THR | LYS | MET | ALA | ARG | GLN | PHE | ALA | SER | ||||
| 6 | ILE | PHE | ILE | GLY | GLN | LYS | ASP | THR | SER | ASN | ||||
| 7 | LEU | PRO | LYS | GLU | THR | VAL | LYS | ASN | ILE | SER | ||||
| 8 | THR | TRP | GLY | ALA | LYS | PRO | LYS | LEU | LYS | ASP | ||||
| 9 | LEU | SER | ASN | TYR | ILE | LYS | TYR | THR | LYS | ASP | ||||
| 10 | LYS | SER | THR | VAL | TRP | VAL | SER | THR | ALA | ILE | ||||
| 11 | ASN | THR | GLU | ALA | GLY | GLY | GLN | SER | SER | GLY | ||||
| 12 | ALA | PRO | LEU | HIS | LYS | ILE | ASP | MET | ASP | LEU | ||||
| 13 | TYR | GLU | PHE | ALA | ILE | ASP | GLY | GLN | LYS | LEU | ||||
| 14 | ASN | PRO | LEU | PRO | GLU | GLY | ARG | THR | LYS | ASN | ||||
| 15 | MET | VAL | PRO | SER | LEU | LEU | LEU | ASP | THR | PRO | ||||
| 16 | GLN | ILE | GLU | THR | SER | SER | ILE | ILE | ALA | LEU | ||||
| 17 | ASN | HIS | GLY | PRO | VAL | ASN | ASP | ALA | GLU | ILE | ||||
| 18 | SER | PHE | LEU | THR | THR | ILE | PRO | LEU | LYS | ASN | ||||
| 19 | VAL | LYS | PRO | HIS | LYS | ARG | GLY | THR | LEU | GLU | ||||
| 20 | VAL | LEU | PHE | GLN |
Samples:
sample_1: TcART, [U-13C; U-15N], 500 uM; HEPES 20 mM; sodium chloride 150 mM
sample_conditions_1: delay time: 10.000 ms
sample_conditions_2: delay time: 900.000 ms
sample_conditions_3: delay time: 50.000 ms
sample_conditions_4: delay time: 600.000 ms
sample_conditions_5: delay time: 100.000 ms
sample_conditions_6: delay time: 400.000 ms
sample_conditions_7: delay time: 200.000 ms
sample_conditions_8: delay time: 1500.000 ms
sample_conditions_9: delay time: 15.000 ms
sample_conditions_10: delay time: 170.000 ms
sample_conditions_11: delay time: 35.000 ms
sample_conditions_12: delay time: 130.000 ms
sample_conditions_13: delay time: 40.000 ms
sample_conditions_14: delay time: 80.000 ms
sample_conditions_15: delay time: 60.000 ms
sample_conditions_16: delay time: 220.000 ms
sample_conditions_19: ionic strength: 150 mM; pH: 7.8; pressure: 1 atm; temperature: 280 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_3 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_4 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_5 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_6 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_7 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_8 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_9 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_15 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_10 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_14 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_11 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_13 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_12 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_16 |
Software:
CcpNmr Analysis v2.4 - data analysis, peak picking
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts